Geometry & MOs

Info

ID:	36675
PubChem CID:	8010825
Reduced:	OS2N5C18H19 (1)
Stoich.:	AB2C5D18E19 (1)
Weight, g/mol:	391.141973
ΔH_f, kcal/mol:	45.05
Dipole, Da:	5.57
IP(EA), eV:	-8.49(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-(2-phenylanilino)ethyl] 3,4-dimethoxybenzoate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)SC2=CC=C(C=C2)NC(=O)CSC3=NNC(=N3)N)C

DOS

IR

Vibrations