Geometry & MOs

Info

ID:	140694
PubChem CID:	52741359
Reduced:	SO3N4C23H37 (1)
Stoich.:	AB3C4D23E37 (1)
Weight, g/mol:	422.166414
ΔH_f, kcal/mol:	-91.17
Dipole, Da:	3.44
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754759
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC[C@H](C(=O)N[C@H](C)C[NH+]1C[C@@H](C[C@@H](C1)C)C)NC2=NS(=O)(=O)C3=CC=CC=C32

DOS

IR

Vibrations