Geometry & MOs

Info

ID:	422013
PubChem CID:	135117012
Reduced:	O2N3C13H19 (1)
Stoich.:	A2B3C13D19 (1)
Weight, g/mol:	379.135448
ΔH_f, kcal/mol:	-63.71
Dipole, Da:	2.02
IP(EA), eV:	-9.68(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-benzyl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-1,3-thiazole-4-carboxamide

Drug info:

PubChemData

Smile

CNCC(=O)N[C@@H]1COC[C@H]1CC2=CC=NC=C2

DOS

IR

Vibrations