Geometry & MOs

Info

ID:	236063
PubChem CID:	92711441
Reduced:	ClOSN2C25H27 (1)
Stoich.:	ABCD2E25F27 (1)
Weight, g/mol:	438.153262
ΔH_f, kcal/mol:	-8.93
Dipole, Da:	2.18
IP(EA), eV:	-8.65(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-chloro-4-methylphenyl)-2-[(7S)-3-ethyl-2-methyl-7-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]acetamide

Drug info:

PubChemData

Smile

CCC1=C(SC2=C1CCN([C@@H]2C3=CC=CC=C3)CC(=O)NC4=C(C=C(C=C4)C)Cl)C

DOS

IR

Vibrations