Geometry & MOs

Info

ID:	66079
PubChem CID:	46491038
Reduced:	N3O4H21C23 (1)
Stoich.:	A3B4C21D23 (1)
Weight, g/mol:	360.11215
ΔH_f, kcal/mol:	-89.32
Dipole, Da:	7.14
IP(EA), eV:	-9.2(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC(=O)CC(C1=CC=CC=C1)NC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=N3

DOS

IR

Vibrations