Geometry & MOs

Info

ID:	61617
PubChem CID:	26711041
Reduced:	NO3C12H13 (2)
Stoich.:	AB3C12D13 (2)
Weight, g/mol:	427.127586
ΔH_f, kcal/mol:	-205.74
Dipole, Da:	5.06
IP(EA), eV:	-8.67(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(S)-[4-[(2S)-butan-2-yl]phenyl]-thiophen-2-ylmethyl]-4-methylsulfonylbenzamide

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)CN2C(=O)C3=CC=CC=C3C2=O)C(=O)NC4CCC(CC4)O

DOS

IR

Vibrations