Geometry & MOs

Info

ID:	437729
PubChem CID:	135226958
Reduced:	IOSN3C25H30 (1)
Stoich.:	ABCD3E25F30 (1)
Weight, g/mol:	425.140927
ΔH_f, kcal/mol:	16.83
Dipole, Da:	3.71
IP(EA), eV:	-7.89(-2.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-(cyclopropylmethoxy)-3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)phenyl]-methyl-oxo-lambda6-sulfanylidene]prop-2-enamide

Drug info:

PubChemData

Smile

CC1CCC(CC1)NC2=C(C=C(C=C2)SC3CC3)C4=CN(C(=O)C5=C4C=C(N5I)C)C

DOS

IR

Vibrations