Geometry & MOs

Info

ID:	282820
PubChem CID:	103941130
Reduced:	NCl2O2C16H21 (1)
Stoich.:	AB2C2D16E21 (1)
Weight, g/mol:	286.071348
ΔH_f, kcal/mol:	-100.15
Dipole, Da:	5.88
IP(EA), eV:	-9.62(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-amino-5-fluoro-3-nitrobenzoyl)amino]ethyl carbamate

Drug info:

PubChemData

Smile

CC(C)(C)C(CCO)NC(=O)/C=C/C1=CC(=C(C=C1)Cl)Cl

DOS

IR

Vibrations