Geometry & MOs

Info

ID:	58029
PubChem CID:	24423601
Reduced:	SCl2N2H7C8 (2)
Stoich.:	AB2C2D7E8 (2)
Weight, g/mol:	386.159889
ΔH_f, kcal/mol:	34.78
Dipole, Da:	1.11
IP(EA), eV:	-8.99(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,4-dimethylphenyl)-3-[2-[(2,4-dimethylphenyl)carbamothioylamino]ethyl]thiourea

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Cl)Cl)NC(=S)NCCNC(=S)NC2=C(C=C(C=C2)Cl)Cl

DOS

IR

Vibrations