Geometry & MOs

Info

ID:	55497
PubChem CID:	17395462
Reduced:	OSN4C20H28 (1)
Stoich.:	ABC4D20E28 (1)
Weight, g/mol:	287.05605
ΔH_f, kcal/mol:	-22.99
Dipole, Da:	8.57
IP(EA), eV:	-8.46(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(3-chloro-4,5-dimethoxybenzoyl)amino]acetate

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2CCN(CC2)C3=C4C(=C(SC4=NC=N3)C)C

DOS

IR

Vibrations