Geometry & MOs

Info

ID:	220640
PubChem CID:	85198124
Reduced:	NSO4H17C18 (1)
Stoich.:	ABC4D17E18 (1)
Weight, g/mol:	343.199488
ΔH_f, kcal/mol:	-113.73
Dipole, Da:	5.94
IP(EA), eV:	-8.75(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-O-tert-butyl 1-O-methyl 2-ethylidene-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanedioate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C2C(=CC(=C1)C)SC3=C(C(C(=O)N=C23)C(=O)C)C

DOS

IR

Vibrations