Geometry & MOs

Info

ID:	407167
PubChem CID:	135079491
Reduced:	IO2S8C136H215 (1)
Stoich.:	AB2C8D136E215 (1)
Weight, g/mol:	286.968688
ΔH_f, kcal/mol:	-341.55
Dipole, Da:	6.68
IP(EA), eV:	-8.29(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyano-3-(3,5-dichloroanilino)-3-sulfanylidenepropanamide

Drug info:

Smile

CCCCCCCCCCCCC1=C(SC(=C1)C2=C(C=C(S2)C3=C(C=C(S3)C4=C(C=C(S4)I)CCCCCCCCCCCC)CCCCCCCCCCCC)CCCCCCCCCCCC)C5=CC(=C(S5)C6=CC(=C(S6)C7=CC(=C(S7)C8=CC(=C(S8)C(=O)OCC9=CC=CC=C9)CCCCCCCCCCCC)CCCCCCCCCCCC)CCCCCCCCCCCC)CCCCCCCCCCCC

DOS

IR

Vibrations