Geometry & MOs

Info

ID:	37264
PubChem CID:	8018971
Reduced:	SN4O5H18C19 (1)
Stoich.:	AB4C5D18E19 (1)
Weight, g/mol:	322.152872
ΔH_f, kcal/mol:	-68.36
Dipole, Da:	5.88
IP(EA), eV:	-8.93(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl] 2-methoxyacetate

Drug info:

PubChemData

Smile

COCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

DOS

IR

Vibrations