Geometry & MOs

Info

ID:	30148
PubChem CID:	840320
Reduced:	N3O3H11C13 (1)
Stoich.:	A3B3C11D13 (1)
Weight, g/mol:	328.070405
ΔH_f, kcal/mol:	8.89
Dipole, Da:	4.91
IP(EA), eV:	-9.09(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CN=C(C=C1)NC(=O)C2=CC=CC=C2[N+](=O)[O-]

DOS

IR

Vibrations