Geometry & MOs

Info

ID:	58096
PubChem CID:	24424028
Reduced:	ClS2N3O3C19H20 (1)
Stoich.:	AB2C3D3E19F20 (1)
Weight, g/mol:	472.171517
ΔH_f, kcal/mol:	-62.6
Dipole, Da:	7.32
IP(EA), eV:	-8.82(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[2-oxo-2-[2-[(4-propan-2-ylphenyl)carbamothioyl]hydrazinyl]acetyl]amino]-3-(4-propan-2-ylphenyl)thiourea

Drug info:

PubChemData

Smile

C1CN(C2=CC=CC=C21)C(=S)NC3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)Cl

DOS

IR

Vibrations