Geometry & MOs

Info

ID:	236112
PubChem CID:	92711624
Reduced:	OSN2C23H24 (1)
Stoich.:	ABC2D23E24 (1)
Weight, g/mol:	404.192235
ΔH_f, kcal/mol:	13.18
Dipole, Da:	2.08
IP(EA), eV:	-8.65(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7S)-N-(3,4-dimethylphenyl)-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=CC=CC=C4)C

DOS

IR

Vibrations