Geometry & MOs

Info

ID:	236121
PubChem CID:	92711662
Reduced:	OSN2C25H28 (1)
Stoich.:	ABC2D25E28 (1)
Weight, g/mol:	404.192235
ΔH_f, kcal/mol:	-1.18
Dipole, Da:	4.22
IP(EA), eV:	-8.56(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1NC(=O)N2CCC3=C([C@H]2C4=CC=CC=C4)SC(=C3CC)C

DOS

IR

Vibrations