Geometry & MOs

Info

ID:	80422
PubChem CID:	49834380
Reduced:	FO3N6C24H27 (1)
Stoich.:	AB3C6D24E27 (1)
Weight, g/mol:	738.178518
ΔH_f, kcal/mol:	-56.63
Dipole, Da:	5.21
IP(EA), eV:	-8.84(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R)-5-[(4-cyanophenyl)methyl]-7-(3,5-dichloro-4-fluorophenyl)-5-methyl-N-[1-[[1-[6-(1-methylpyrazol-4-yl)pyridazin-3-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

CC(C)OC(=O)N1CCC(CC1)N2C(=C(C=N2)COC3=C(C=C(C=C3)C4=NC=CN4C)F)C#N

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

CC(C)OC(=O)N1CCC(CC1)N2C(=C(C=N2)COC3=C(C=C(C=C3)C4=NC=CN4C)F)C#N

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):