Geometry & MOs

Info

ID:	78860
PubChem CID:	49738131
Reduced:	ClSO2N4C19H19 (1)
Stoich.:	ABC2D4E19F19 (1)
Weight, g/mol:	400.11246
ΔH_f, kcal/mol:	-10.15
Dipole, Da:	3.31
IP(EA), eV:	-8.88(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-butylphenyl)-2-[2-[(5-chloropyridin-2-yl)amino]-1,3-thiazol-4-yl]acetamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1CCNC(=O)CC2=CSC(=N2)NC3=NC=C(C=C3)Cl

DOS

IR

Vibrations