Geometry & MOs

Info

ID:	130464
PubChem CID:	51090906
Reduced:	S2N3O3H13C15 (1)
Stoich.:	A2B3C3D13E15 (1)
Weight, g/mol:	323.126991
ΔH_f, kcal/mol:	-26.69
Dipole, Da:	4.94
IP(EA), eV:	-8.79(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-oxo-1-(3-pyrrol-1-ylanilino)propan-2-yl]furan-2-carboxamide

Drug info:

PubChemData

Smile

C1=CN(C=C1)C2=CC=CC(=C2)NC(=O)C3=CSC(=C3)S(=O)(=O)N

DOS

IR

Vibrations