Geometry & MOs

Info

ID:	39496
PubChem CID:	8141000
Reduced:	ClN2O4C21H25 (1)
Stoich.:	AB2C4D21E25 (1)
Weight, g/mol:	394.156243
ΔH_f, kcal/mol:	-140.57
Dipole, Da:	8.14
IP(EA), eV:	-8.74(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[cyclopentyl-[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 2-amino-3-methylbenzoate

Drug info:

PubChemData

Smile

CC(C)COC1=C(C=C(C=C1)C(=O)N(C)CC(=O)NC2=CC=C(C=C2)Cl)OC

DOS

IR

Vibrations