Geometry & MOs

Info

ID:	60293
PubChem CID:	26676115
Reduced:	ClSO3N4H23C25 (1)
Stoich.:	ABC3D4E23F25 (1)
Weight, g/mol:	427.123359
ΔH_f, kcal/mol:	-52.81
Dipole, Da:	15.12
IP(EA), eV:	-8.4(-2.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4-chlorophenyl)ethyl]-3-[[4-(3,5-dimethylpyrazol-1-yl)benzoyl]amino]thiourea

Drug info:

PubChemData

Smile

C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC=C2)CCCC(=O)NNC(=S)NCCC4=CC=C(C=C4)Cl

DOS

IR

Vibrations