Geometry & MOs

Info

ID:	54106
PubChem CID:	14720175
Reduced:	NF2O4C17H23 (1)
Stoich.:	AB2C4D17E23 (1)
Weight, g/mol:	358.116486
ΔH_f, kcal/mol:	-277.39
Dipole, Da:	4.53
IP(EA), eV:	-9.69(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(4-nitrophenyl)-2-(phenylmethoxycarbonylamino)propanoate

Drug info:

PubChemData

Smile

CC(C)CC(C(C(C(=O)C)(F)F)O)NC(=O)OCC1=CC=CC=C1

DOS

IR

Vibrations