Geometry & MOs

Info

ID:	32034
PubChem CID:	4253834
Reduced:	FSO2N3C25H28 (1)
Stoich.:	ABC2D3E25F28 (1)
Weight, g/mol:	432.036913
ΔH_f, kcal/mol:	-66.45
Dipole, Da:	3.95
IP(EA), eV:	-8.79(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-chloro-5-[[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]sulfanyl]acetyl]amino]benzoate

Drug info:

PubChemData

Smile

CCCCN(CC(=O)N(CC1=CC=CC=C1)CC2=CC=CS2)C(=O)NC3=CC=CC=C3F

DOS

IR

Vibrations