Geometry & MOs

Info

ID:	391143
PubChem CID:	135003070
Reduced:	N2O2C31H36 (1)
Stoich.:	A2B2C31D36 (1)
Weight, g/mol:	340.105922
ΔH_f, kcal/mol:	16.11
Dipole, Da:	1.76
IP(EA), eV:	-8.93(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-methoxy-3-nitroanilino)-phenylmethyl]-2H-furan-5-one

Drug info:

PubChemData

Smile

COC(=O)[C@@H]([C@@H](CCC1=CC=CC=C1)N(CC=C)CC=C)NC(C2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations