Geometry & MOs

Info

ID:	402043
PubChem CID:	135053999
Reduced:	SN2O4C13H20 (1)
Stoich.:	AB2C4D13E20 (1)
Weight, g/mol:	336.204907
ΔH_f, kcal/mol:	-185.89
Dipole, Da:	8.05
IP(EA), eV:	-8.85(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(2S,3S)-5-methyl-2-nitro-1-phenylhexan-3-yl]carbamate

Drug info:

PubChemData

Smile

CCCC[C@H]1[C@@H](NC(=S)O1)C(=O)N2C(=O)OCC2(C)C

DOS

IR

Vibrations