Geometry & MOs

Info

ID:	398370
PubChem CID:	135033004
Reduced:	NO3C13H17 (1)
Stoich.:	AB3C13D17 (1)
Weight, g/mol:	264.093249
ΔH_f, kcal/mol:	-108.53
Dipole, Da:	5.25
IP(EA), eV:	-9.33(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl N-[(4S)-4-benzyl-4,5-dihydro-1,3-thiazol-2-yl]carbamate

Drug info:

PubChemData

Smile

CCOC(=O)[C@]12[C@@H]3CCN1C=C([C@H]2C3)C(=O)C

DOS

IR

Vibrations