Geometry & MOs

Info

ID:	139832
PubChem CID:	52603626
Reduced:	N4O5H12C13 (1)
Stoich.:	A4B5C12D13 (1)
Weight, g/mol:	438.05905
ΔH_f, kcal/mol:	-64.5
Dipole, Da:	7.1
IP(EA), eV:	-9.92(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[5-[(3-bromo-5-fluorobenzoyl)amino]-2-methoxyphenyl]carbamate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])OC(=O)C2=CC=NN2

DOS

IR

Vibrations