Geometry & MOs

Info

ID:	172542
PubChem CID:	75523655
Reduced:	SO2N4C14H14 (1)
Stoich.:	AB2C4D14E14 (1)
Weight, g/mol:	310.10659
ΔH_f, kcal/mol:	67.38
Dipole, Da:	11.32
IP(EA), eV:	-9.41(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(3-cyano-4-nitroanilino)ethyl]benzamide

Drug info:

PubChemData

Smile

CC1=CSC(=N1)CCCNC2=CC(=C(C=C2)[N+](=O)[O-])C#N

DOS

IR

Vibrations