Geometry & MOs

Info

ID:	139390
PubChem CID:	52521954
Reduced:	ClSN2C19H23 (1)
Stoich.:	ABC2D19E23 (1)
Weight, g/mol:	350.085577
ΔH_f, kcal/mol:	10.33
Dipole, Da:	8.24
IP(EA), eV:	-8.47(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-chloro-4,6-dimethylphenyl)-3-(3,5-dimethoxyphenyl)thiourea

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)Cl)NC(=S)NC2=CC=C(C=C2)C(C)(C)C)C

DOS

IR

Vibrations