Geometry & MOs

Info

ID:	194783
PubChem CID:	78589565
Reduced:	BrN3O5H14C16 (1)
Stoich.:	AB3C5D14E16 (1)
Weight, g/mol:	398.018475
ΔH_f, kcal/mol:	-94.96
Dipole, Da:	7.35
IP(EA), eV:	-9.07(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[(3,5-dichloropyridin-2-yl)amino]-1-oxopropan-2-yl] 2-amino-5-nitrobenzoate

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC=C(C=C1)Br)OC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N

DOS

IR

Vibrations