Geometry & MOs

Info

ID:	66090
PubChem CID:	46491066
Reduced:	N3O3C22H23 (1)
Stoich.:	A3B3C22D23 (1)
Weight, g/mol:	388.14345
ΔH_f, kcal/mol:	-38.68
Dipole, Da:	3.21
IP(EA), eV:	-8.78(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 3-[(3-fluoro-4-methyl-5-nitrobenzoyl)amino]-3-phenylpropanoate

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)C(=O)NC(C)C2=CC=CC=N2)OCC3=CC=NC=C3

DOS

IR

Vibrations