Geometry & MOs

Info

ID:	170065
PubChem CID:	75192038
Reduced:	FSN3O3C25H30 (1)
Stoich.:	ABC3D3E25F30 (1)
Weight, g/mol:	319.108754
ΔH_f, kcal/mol:	-144.23
Dipole, Da:	2.07
IP(EA), eV:	-8.75(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-chloro-2-methylphenyl)-2-(4-oxo-5,6,7,7a-tetrahydro-3aH-pyrrolo[3,2-c]pyridin-1-yl)acetamide

Drug info:

PubChemData

Smile

CC1CC2C(CC1C)NC(=O)C(N2)CSC3=CC=C(C=C3)NC(=O)COC4=CC=C(C=C4)F

DOS

IR

Vibrations