Geometry & MOs

Info

ID:	80044
PubChem CID:	49832417
Reduced:	NO2F4C21H23 (1)
Stoich.:	AB2C4D21E23 (1)
Weight, g/mol:	737.183269
ΔH_f, kcal/mol:	-261.66
Dipole, Da:	1.25
IP(EA), eV:	-8.94(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S)-5-[(4-cyanophenyl)methyl]-7-(3,5-dichloro-4-fluorophenyl)-5-methyl-N-[1-[[1-[5-(1-methylpyrazol-4-yl)pyridin-2-yl]cyclopropyl]carbamoyl]cyclopropyl]-6-oxoimidazo[1,2-a]imidazole-3-carboxamide

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](C1=CC(=C(C=C1)F)OC)NC2CCC(C2)C3=CC(=C(C=C3)O)C(F)(F)F

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](C1=CC(=C(C=C1)F)OC)NC2CCC(C2)C3=CC(=C(C=C3)O)C(F)(F)F

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):