Geometry & MOs

Info

ID:	344237
PubChem CID:	127267413
Reduced:	N3O6C14H15 (1)
Stoich.:	A3B6C14D15 (1)
Weight, g/mol:	347.130363
ΔH_f, kcal/mol:	-194.38
Dipole, Da:	2.51
IP(EA), eV:	-8.62(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[(2S)-3-methyl-1-oxo-1-(1,2-thiazol-5-ylmethylamino)butan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC1=CC=C(C(=O)N1)NC(=O)COCC2=C(N=CO2)C(=O)OC

DOS

IR

Vibrations