Geometry & MOs

Info

ID:	137069
PubChem CID:	52148761
Reduced:	N3O4C21H35 (1)
Stoich.:	A3B4C21D35 (1)
Weight, g/mol:	318.140199
ΔH_f, kcal/mol:	-173.84
Dipole, Da:	2.48
IP(EA), eV:	-8.68(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methoxyphenyl)-N-methyl-N-[(2S)-pentan-2-yl]-1,3-thiazole-4-carboxamide

Drug info:

PubChemData

Smile

CCC(CC)[C@@H](CNC(=O)NC[C@@H](C1=CC=C(C=C1)OC)O)N2CCOCC2

DOS

IR

Vibrations