Geometry & MOs

Info

ID:	43742
PubChem CID:	10321726
Reduced:	PO7H23C24 (1)
Stoich.:	AB7C23D24 (1)
Weight, g/mol:	454.094705
ΔH_f, kcal/mol:	-279.05
Dipole, Da:	2.72
IP(EA), eV:	-9.6(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[[2-(4-methylphenoxy)acetyl]amino]carbamothioyl]-5-(3-nitrophenyl)furan-2-carboxamide

Drug info:

PubChemData

Smile

CC(=O)OC1=CC=CC=C1C(=O)COP(=O)(OCC2=CC=CC=C2)OCC3=CC=CC=C3

DOS

IR

Vibrations