Geometry & MOs

Info

ID:	34379
PubChem CID:	7891020
Reduced:	NSO4C24H25 (1)
Stoich.:	ABC4D24E25 (1)
Weight, g/mol:	399.096286
ΔH_f, kcal/mol:	-118.59
Dipole, Da:	5.93
IP(EA), eV:	-8.75(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl 4-oxo-4-thiophen-2-ylbutanoate

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)N2C(=CC(=C2C)C(=O)COC(=O)CCC(=O)C3=CC=CS3)C)C

DOS

IR

Vibrations