Geometry & MOs

Info

ID:	195037
PubChem CID:	78625260
Reduced:	NO4C16H21 (1)
Stoich.:	AB4C16D21 (1)
Weight, g/mol:	385.134779
ΔH_f, kcal/mol:	-167.49
Dipole, Da:	5.47
IP(EA), eV:	-9.0(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[4-(3,4-dimethylphenyl)sulfanylanilino]-2-oxoethyl] oxolane-2-carboxylate

Drug info:

PubChemData

Smile

CCC1=CC=CC(=C1NC(=O)COC(=O)C2CCCO2)C

DOS

IR

Vibrations