Geometry & MOs

Info

ID:	131914
PubChem CID:	51278880
Reduced:	ClNSO3H14C18 (1)
Stoich.:	ABCD3E14F18 (1)
Weight, g/mol:	392.005612
ΔH_f, kcal/mol:	-67.28
Dipole, Da:	2.07
IP(EA), eV:	-8.4(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SC2=CC=CC=C12)C(=O)NC3=CC4=C(C=C3Cl)OCCO4

DOS

IR

Vibrations