Geometry & MOs

Info

ID:	437827
PubChem CID:	135227113
Reduced:	IOS2N3C23H28 (1)
Stoich.:	ABC2D3E23F28 (1)
Weight, g/mol:	390.151433
ΔH_f, kcal/mol:	-3.43
Dipole, Da:	4.55
IP(EA), eV:	-8.24(-2.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(cyclopropylmethylamino)-3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)phenyl]sulfanylcyclopropane-1-carbonitrile

Drug info:

PubChemData

Smile

CC1CCC(CC1)NC2=C(C=C(C=C2)SC)C3=CN(C(=O)C4=C3C=C(N4SI)C)C

DOS

IR

Vibrations