Geometry & MOs

Info

ID:	327109
PubChem CID:	126689015
Reduced:	N2O2C15H20 (1)
Stoich.:	A2B2C15D20 (1)
Weight, g/mol:	517.198167
ΔH_f, kcal/mol:	-50.33
Dipole, Da:	1.39
IP(EA), eV:	-8.55(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(cyclohexanecarbonyloxymethoxycarbonylamino)-3-(cyclohexanecarbonyloxymethoxycarbonylsulfanyl)-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)OC(=O)N2CCCC=CN2)C

DOS

IR

Vibrations