Geometry & MOs

Info

ID:	187567
PubChem CID:	77592746
Reduced:	N2O5C11H16 (1)
Stoich.:	A2B5C11D16 (1)
Weight, g/mol:	590.212044
ΔH_f, kcal/mol:	-215.43
Dipole, Da:	6.25
IP(EA), eV:	-10.57(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-methylphenyl)-[8-[[4-methylsulfanyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]-1,4-dioxaspiro[4.5]decan-7-yl]methanesulfinic acid

Drug info:

PubChemData

Smile

C=CCOC(=O)NC1CCCN1C(=O)CC(=O)O

DOS

IR

Vibrations