Geometry & MOs

Info

ID:	126660
PubChem CID:	50972499
Reduced:	SO2N4C18H26 (1)
Stoich.:	AB2C4D18E26 (1)
Weight, g/mol:	331.135448
ΔH_f, kcal/mol:	-55.77
Dipole, Da:	4.61
IP(EA), eV:	-9.33(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-methoxyphenyl)methyl]-4-methyl-2-(methylamino)-N-prop-2-enyl-1,3-thiazole-5-carboxamide

Drug info:

PubChemData

Smile

CCC1=C(SC(=N1)C)CNC(=O)[C@@]23CNC[C@@H]2CN(C3)C(=O)C4CC4

DOS

IR

Vibrations