Geometry & MOs

Info

ID:	67390
PubChem CID:	46506394
Reduced:	SN3O4C23H27 (1)
Stoich.:	AB3C4D23E27 (1)
Weight, g/mol:	372.114378
ΔH_f, kcal/mol:	-114.96
Dipole, Da:	7.29
IP(EA), eV:	-8.66(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)N2CCN(CC2)C(=S)NC3=C(C=CC(=C3)C(=O)OC)C(=O)OC

DOS

IR

Vibrations