Geometry & MOs

Info

ID:	143904
PubChem CID:	53279649
Reduced:	SN2O2C20H24 (1)
Stoich.:	AB2C2D20E24 (1)
Weight, g/mol:	285.093583
ΔH_f, kcal/mol:	-30.09
Dipole, Da:	4.98
IP(EA), eV:	-8.36(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-3-(phenylcarbamothioylamino)benzamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CSCC(=O)N2CCN(CC2)C3=CC=CC=C3

DOS

IR

Vibrations