Geometry & MOs

Info

ID:	291439
PubChem CID:	112379007
Reduced:	SN2O3C18H22 (1)
Stoich.:	AB2C3D18E22 (1)
Weight, g/mol:	334.098728
ΔH_f, kcal/mol:	-106.08
Dipole, Da:	2.61
IP(EA), eV:	-9.35(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-hydroxy-4-phenylbutan-2-yl)-5-methyl-4-nitrothiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC(C(CC1=CC=CC=C1)O)NC(=O)C2=CC=C(S2)CNC(=O)C

DOS

IR

Vibrations