Geometry & MOs

Info

ID:	67385
PubChem CID:	46506386
Reduced:	SN2O4C18H24 (1)
Stoich.:	AB2C4D18E24 (1)
Weight, g/mol:	462.161329
ΔH_f, kcal/mol:	-155.28
Dipole, Da:	5.47
IP(EA), eV:	-8.45(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 2-[[benzyl(2-phenylethyl)carbamothioyl]amino]benzene-1,4-dicarboxylate

Drug info:

PubChemData

Smile

CCC1CCCCN1C(=S)NC2=C(C=CC(=C2)C(=O)OC)C(=O)OC

DOS

IR

Vibrations