Geometry & MOs

Info

ID:	273808
PubChem CID:	103805150
Reduced:	BrSN2O2H11C12 (1)
Stoich.:	ABC2D2E11F12 (1)
Weight, g/mol:	277.088498
ΔH_f, kcal/mol:	-14.9
Dipole, Da:	2.95
IP(EA), eV:	-8.04(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-amino-5-methoxyphenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)NC(=O)C2=CSC(=C2)Br)N

DOS

IR

Vibrations