Geometry & MOs

Info

ID:	236114
PubChem CID:	92711634
Reduced:	ClOSN2C24H25 (1)
Stoich.:	ABCD2E24F25 (1)
Weight, g/mol:	436.182064
ΔH_f, kcal/mol:	-4.01
Dipole, Da:	2.94
IP(EA), eV:	-8.65(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7S)-N-(2,5-dimethoxyphenyl)-3-ethyl-2-methyl-7-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations