Geometry & MOs

Info

ID:	133128
PubChem CID:	51480960
Reduced:	SN3O5H17C20 (1)
Stoich.:	AB3C5D17E20 (1)
Weight, g/mol:	429.194008
ΔH_f, kcal/mol:	-52.61
Dipole, Da:	10.29
IP(EA), eV:	-9.23(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] 2-(4-methylbenzoyl)benzoate

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(=O)O[C@H](C)C(=O)NC2=NC(=CS2)C3=CC(=CC=C3)[N+](=O)[O-]

DOS

IR

Vibrations