Geometry & MOs

Info

ID:	27509
PubChem CID:	821700
Reduced:	NO4H13C15 (1)
Stoich.:	AB4C13D15 (1)
Weight, g/mol:	280.088164
ΔH_f, kcal/mol:	-49.57
Dipole, Da:	5.32
IP(EA), eV:	-9.86(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl N-[(4S,5S)-4-hydroxy-2-methyl-4-phenyl-5H-1,3-thiazol-5-yl]carbamate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C2=CC=C(C=C2)C(=O)OC)[N+](=O)[O-]

DOS

IR

Vibrations