Geometry & MOs

Info

ID:	444749
PubChem CID:	135263421
Reduced:	ClNSO2C17H22 (1)
Stoich.:	ABCD2E17F22 (1)
Weight, g/mol:	388.064841
ΔH_f, kcal/mol:	-56.56
Dipole, Da:	2.18
IP(EA), eV:	-8.3(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-chloro-2-[[2-methyl-4-(4-methyl-1,3-thiazol-2-yl)phenoxy]methyl]phenyl]carbamic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(C2=CC=C(O2)C)NS(=O)C(C)(C)C)Cl

DOS

IR

Vibrations