Geometry & MOs

Info

ID:	165259
PubChem CID:	74522843
Reduced:	FO2N3C21H27 (1)
Stoich.:	AB2C3D21E27 (1)
Weight, g/mol:	323.111735
ΔH_f, kcal/mol:	-92.4
Dipole, Da:	4.72
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754716
Charge, e:	0

Chem-info

IUPAC name:

(1-morpholin-4-yl-1-oxopropan-2-yl) 2-amino-5-nitrobenzoate

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)NC(=O)C[NH+](C)CC(=O)NC(C)C2=CC=C(C=C2)F

DOS

IR

Vibrations