Geometry & MOs

Info

ID:	36288
PubChem CID:	8001081
Reduced:	OSN4C20H20 (1)
Stoich.:	ABC4D20E20 (1)
Weight, g/mol:	364.058317
ΔH_f, kcal/mol:	58.56
Dipole, Da:	2.41
IP(EA), eV:	-8.78(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chlorophenyl)-3-[(2,5-dimethylphenyl)carbamothioylamino]thiourea

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)NC(=S)NNC(=O)C2=CC=CC=C2N3C=CC=C3

DOS

IR

Vibrations