Geometry & MOs

Info

ID:	69122
PubChem CID:	46519220
Reduced:	SN2O5C23H24 (1)
Stoich.:	AB2C5D23E24 (1)
Weight, g/mol:	412.163436
ΔH_f, kcal/mol:	-127.76
Dipole, Da:	5.2
IP(EA), eV:	-9.01(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] 3-(oxolan-2-ylmethoxy)benzoate

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C2=NC=CS2)C)C(=O)COC(=O)C3=CC(=CC=C3)OCC4CCCO4

DOS

IR

Vibrations