Geometry & MOs

Info

ID:	134881
PubChem CID:	51774330
Reduced:	N3O6C18H20 (1)
Stoich.:	A3B6C18D20 (1)
Weight, g/mol:	349.163771
ΔH_f, kcal/mol:	-104.01
Dipole, Da:	2.07
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.026128
Charge, e:	0

Chem-info

IUPAC name:

N-[(Z,2R)-1-(tert-butylamino)-1-oxopent-3-en-2-yl]-2-hydroxy-N-methyl-5-nitrobenzamide

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)[C@H](C1=CC=CO1)N(C)C(=O)C2=C(C=CC(=C2)[N+](=O)[O-])[O-]

DOS

IR

Vibrations