Geometry & MOs

Info

ID:	140461
PubChem CID:	52702490
Reduced:	O3N4C26H28 (1)
Stoich.:	A3B4C26D28 (1)
Weight, g/mol:	418.171499
ΔH_f, kcal/mol:	-76.59
Dipole, Da:	6.32
IP(EA), eV:	-8.57(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-benzamido-2-methylphenyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)[C@H](C(C)C)NC(=O)NC2=CC=CC=C2)NC(=O)C3=CC=CC=C3

DOS

IR

Vibrations