Geometry & MOs

Info

ID:	236131
PubChem CID:	92711699
Reduced:	SN2O2C26H30 (1)
Stoich.:	AB2C2D26E30 (1)
Weight, g/mol:	434.202799
ΔH_f, kcal/mol:	-46.78
Dipole, Da:	5.51
IP(EA), eV:	-8.61(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7S)-N-(2,4-dimethylphenyl)-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=C(C=C3)OC)C(=O)NC4=C(C=C(C=C4)C)C)C

DOS

IR

Vibrations