Geometry & MOs

Info

ID:	236037
PubChem CID:	92711406
Reduced:	SN2O2C25H28 (1)
Stoich.:	AB2C2D25E28 (1)
Weight, g/mol:	418.207885
ΔH_f, kcal/mol:	-29.26
Dipole, Da:	2.72
IP(EA), eV:	-8.15(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,5-dimethylphenyl)-2-[(7R)-3-ethyl-2-methyl-7-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]acetamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations