Geometry & MOs

Info

ID:	448853
PubChem CID:	135294053
Reduced:	S3C9H14 (1)
Stoich.:	A3B9C14 (1)
Weight, g/mol:	414.243104
ΔH_f, kcal/mol:	3.48
Dipole, Da:	3.57
IP(EA), eV:	-8.67(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-3-[(1Z,3Z)-1,4-diamino-5-[cyclohexyl(methyl)amino]-5-oxopenta-1,3-dienyl]-5-fluoro-4-methylbenzamide

Drug info:

PubChemData

Smile

CCC1=CC=C(S1)C(C)(S)SC

DOS

IR

Vibrations