Geometry & MOs

Info

ID:	236057
PubChem CID:	92711430
Reduced:	SN2O2C26H30 (1)
Stoich.:	AB2C2D26E30 (1)
Weight, g/mol:	448.182064
ΔH_f, kcal/mol:	-28.44
Dipole, Da:	7.25
IP(EA), eV:	-8.82(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzodioxol-5-ylmethyl)-2-[(7S)-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)NCC4=CC=C(C=C4)OC)C

DOS

IR

Vibrations