Geometry & MOs

Info

ID:	236123
PubChem CID:	92711667
Reduced:	SN2O3C25H26 (1)
Stoich.:	AB2C3D25E26 (1)
Weight, g/mol:	454.148177
ΔH_f, kcal/mol:	-75.9
Dipole, Da:	5.99
IP(EA), eV:	-8.98(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7S)-N-(2-chloro-4-methylphenyl)-3-ethyl-7-(4-methoxyphenyl)-2-methyl-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=C(C=C4)C(=O)OC)C

DOS

IR

Vibrations