Geometry & MOs

Info

ID:	195902
PubChem CID:	78746387
Reduced:	OS2N3H13C19 (1)
Stoich.:	AB2C3D13E19 (1)
Weight, g/mol:	388.12792
ΔH_f, kcal/mol:	96.36
Dipole, Da:	6.3
IP(EA), eV:	-9.34(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-3-(2,5-dimethylphenyl)-1-(1,1-dioxothiolan-3-yl)thiourea

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C(=O)C(=CC3=CC=C(S3)C)SC2=C(C#N)C#N

DOS

IR

Vibrations