Geometry & MOs

Info

ID:	427981
PubChem CID:	135165622
Reduced:	NO4C17H23 (1)
Stoich.:	AB4C17D23 (1)
Weight, g/mol:	753.376931
ΔH_f, kcal/mol:	-159.8
Dipole, Da:	2.95
IP(EA), eV:	-8.6(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-[[2-chloro-3-[3-[(1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl)amino]-2-methylphenyl]phenyl]carbamoyl]-3-methyl-4,5,6,7,8,9-hexahydrocycloocta[d]imidazol-6-yl]methyl]-1-methylcyclohexane-1-carboxylic acid

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

C[C@H]1[C@H](OC(C1OC(=O)C2=CC=CC=C2)O)[C@H](C)NC(=C)C

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

C[C@H]1[C@H](OC(C1OC(=O)C2=CC=CC=C2)O)[C@H](C)NC(=C)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):