Geometry & MOs

Info

ID:	387052
PubChem CID:	134983792
Reduced:	SN2O5C17H22 (1)
Stoich.:	AB2C5D17E22 (1)
Weight, g/mol:	390.215472
ΔH_f, kcal/mol:	-98.06
Dipole, Da:	6.11
IP(EA), eV:	-9.6(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-(4-hydroxy-5-methyl-5-nitrohexyl)-N-(3-phenylprop-2-ynyl)carbamate

Drug info:

PubChemData

Smile

CCC(CC)(C(C1=CC=CO1)NS(=O)(=O)C2=CC=C(C=C2)C)[N+](=O)[O-]

DOS

IR

Vibrations