Geometry & MOs

Info

ID:	221445
PubChem CID:	85273708
Reduced:	SO2N4C14H20 (1)
Stoich.:	AB2C4D14E20 (1)
Weight, g/mol:	308.109568
ΔH_f, kcal/mol:	-12.12
Dipole, Da:	6.7
IP(EA), eV:	-9.61(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-2-cyano-3-(4-methylanilino)-N-phenylprop-2-enethioamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NC2(CCCCC2N=[N+]=[N-])C

DOS

IR

Vibrations