Geometry & MOs

Info

ID:	372638
PubChem CID:	131301291
Reduced:	SN2C13H22 (1)
Stoich.:	AB2C13D22 (1)
Weight, g/mol:	274.976755
ΔH_f, kcal/mol:	-8.2
Dipole, Da:	2.34
IP(EA), eV:	-8.16(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(aminomethyl)-3-cyano-2-nitrobenzenesulfonyl chloride

Drug info:

PubChemData

Smile

CC(C)CC1=C(SC(=C1)N)N2CCCCC2

DOS

IR

Vibrations