Geometry & MOs

Info

ID:	141262
PubChem CID:	52849776
Reduced:	ON4C18H25 (1)
Stoich.:	AB4C18D25 (1)
Weight, g/mol:	426.116877
ΔH_f, kcal/mol:	63.98
Dipole, Da:	2.53
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752692
Charge, e:	0

Chem-info

IUPAC name:

2-benzyl-N-[4-(4-chlorophenyl)oxan-4-yl]-4-methyl-1,3-thiazole-5-carboxamide

Drug info:

PubChemData

Smile

CN1C=C(C=N1)[C@H]2C[C@@H]2C(=O)N(CC[NH+](C)C)C3=CC=CC=C3

DOS

IR

Vibrations