Geometry & MOs

Info

ID:	236058
PubChem CID:	92711432
Reduced:	SN2O3C26H28 (1)
Stoich.:	AB2C3D26E28 (1)
Weight, g/mol:	462.2341
ΔH_f, kcal/mol:	-54.94
Dipole, Da:	2.7
IP(EA), eV:	-8.78(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=C(SC2=C1CCN([C@H]2C3=CC=CC=C3)CC(=O)NCC4=CC5=C(C=C4)OCO5)C

DOS

IR

Vibrations