Geometry & MOs

Info

ID:	124566
PubChem CID:	50887688
Reduced:	S3O4N5H13C18 (1)
Stoich.:	A3B4C5D13E18 (1)
Weight, g/mol:	220.084792
ΔH_f, kcal/mol:	-33.25
Dipole, Da:	5.89
IP(EA), eV:	-9.09(-2.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(Z)-2-nitrobut-1-enyl]benzamide

Drug info:

PubChemData

Smile

C1=CN(C(=C1)C=C2C(=O)NC(=S)NC2=O)C3=CC=C(C=C3)S(=O)(=O)NC4=NC=CS4

DOS

IR

Vibrations