Geometry & MOs

Info

ID:	313086
PubChem CID:	126611779
Reduced:	SN2O2H14C16 (1)
Stoich.:	AB2C2D14E16 (1)
Weight, g/mol:	279.031377
ΔH_f, kcal/mol:	-4.84
Dipole, Da:	3.89
IP(EA), eV:	-8.66(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-(5-nitro-1,3-thiazol-2-yl)carbamate

Drug info:

PubChemData

Smile

C1=CC2=C(C=CN=C2C(=C1)S)C(=O)NCCC3=CC=CO3

DOS

IR

Vibrations