Geometry & MOs

Info

ID:	437814
PubChem CID:	135227100
Reduced:	SN3O3C26H29 (1)
Stoich.:	AB3C3D26E29 (1)
Weight, g/mol:	407.203134
ΔH_f, kcal/mol:	-32.59
Dipole, Da:	5.18
IP(EA), eV:	-8.38(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(cycloheptylamino)-5-cyclopropylsulfanylphenyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one

Drug info:

PubChemData

Smile

CCS(=N)(=O)C1=CC(=C(C=C1)OC2=CC=C(C=C2)C(C)(C)C)C3=CN(C(=O)C4=C3C=CN4)C

DOS

IR

Vibrations