Geometry & MOs

Info

ID:	291460
PubChem CID:	112379028
Reduced:	SN2O2C17H20 (1)
Stoich.:	AB2C2D17E20 (1)
Weight, g/mol:	300.093249
ΔH_f, kcal/mol:	-47.78
Dipole, Da:	3.05
IP(EA), eV:	-8.93(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyano-N-(3-hydroxy-4-phenylbutan-2-yl)thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC(C(CC1=CC=CC=C1)O)NC(=O)C2=CN=C(C=C2)SC

DOS

IR

Vibrations