Geometry & MOs

Info

ID:	194772
PubChem CID:	78587904
Reduced:	N2O5C13H14 (1)
Stoich.:	A2B5C13D14 (1)
Weight, g/mol:	338.130028
ΔH_f, kcal/mol:	-108.9
Dipole, Da:	9.26
IP(EA), eV:	-9.65(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(methylamino)-2-oxoethyl] 2-[(3-methylbenzoyl)amino]-4-methylsulfanylbutanoate

Drug info:

PubChemData

Smile

CC=CC(=O)OCC(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])C

DOS

IR

Vibrations