Geometry & MOs

Info

ID:	188135
PubChem CID:	77671982
Reduced:	NO3H9C10 (2)
Stoich.:	AB3C9D10 (2)
Weight, g/mol:	475.13795
ΔH_f, kcal/mol:	-113.63
Dipole, Da:	10.57
IP(EA), eV:	-9.06(-1.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[4-[(4-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 3-(2-nitrophenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC=CC(=C1)C(=O)C)OC(=O)C=CC2=CC=CC=C2[N+](=O)[O-]

DOS

IR

Vibrations