Geometry & MOs

Info

ID:	54233
PubChem CID:	16955356
Reduced:	SN4O5C21H22 (1)
Stoich.:	AB4C5D21E22 (1)
Weight, g/mol:	335.130363
ΔH_f, kcal/mol:	-88.4
Dipole, Da:	4.15
IP(EA), eV:	-8.2(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butyl-2-(3,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)NC2=NC(=CS2)C(=O)N3CCN(CC3)C(=O)C4=CC=CO4)OC

DOS

IR

Vibrations