Geometry & MOs

Info

ID:	177648
PubChem CID:	76208408
Reduced:	NSO3C13H13 (1)
Stoich.:	ABC3D13E13 (1)
Weight, g/mol:	289.038482
ΔH_f, kcal/mol:	-61.25
Dipole, Da:	3.0
IP(EA), eV:	-8.1(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-amino-4-hydroxyiminobutyl)-2,6-dichlorobenzamide

Drug info:

PubChemData

Smile

CCOC1=CC(=C2NC=C(S2)C(=O)C)C=CC1=O

DOS

IR

Vibrations