Geometry & MOs

Info

ID:	327107
PubChem CID:	126689012
Reduced:	N2O2C13H14 (1)
Stoich.:	A2B2C13D14 (1)
Weight, g/mol:	517.198167
ΔH_f, kcal/mol:	-39.09
Dipole, Da:	2.29
IP(EA), eV:	-9.08(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[cyclohexanecarbonyloxy(methoxycarbonyl)amino]-3-(cyclohexanecarbonyloxymethoxycarbonylsulfanyl)-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)OC(=O)C2=NC=CN2)C

DOS

IR

Vibrations