Geometry & MOs

Info

ID:	65986
PubChem CID:	46484854
Reduced:	O3N4H18C22 (1)
Stoich.:	A3B4C18D22 (1)
Weight, g/mol:	380.119464
ΔH_f, kcal/mol:	29.73
Dipole, Da:	5.23
IP(EA), eV:	-8.71(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-[(2-methoxy-5-methylphenyl)carbamoyl]phenyl]methyl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)CCC3=NC(=NO3)C4=CN=CC=C4

DOS

IR

Vibrations