Geometry & MOs

Info

ID:

437748

PubChem CID:

135226977

Reduced:

SN2O2C16H18 (2)

Stoich.:

AB2C2D16E18 (2)

Weight, g/mol:

391.135448

ΔHf, kcal/mol:

-40.21

Dipole, Da:

11.03

IP(EA), eV:

 -8.44(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2C=CC3=C2C(=O)N(C=C3C4=C(C=CC(=C4)S(=N)(=O)C5CC5)NC6CCC7(CC6)CC7)C

DOS

IR

Vibrations