Geometry & MOs

Info

ID:	32912
PubChem CID:	7849392
Reduced:	NSO5C22H29 (1)
Stoich.:	ABC5D22E29 (1)
Weight, g/mol:	420.150764
ΔH_f, kcal/mol:	-226.51
Dipole, Da:	3.15
IP(EA), eV:	-9.8(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(N-acetyl-3,4-dimethylanilino)-1,3-thiazol-4-yl]methyl (E)-3-(2-methylphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)OCC(=O)NCC23CC4CC(C2)CC(C4)C3

DOS

IR

Vibrations