Geometry & MOs

Info

ID:	195467
PubChem CID:	78690323
Reduced:	ClSO2N4C19H19 (1)
Stoich.:	ABC2D4E19F19 (1)
Weight, g/mol:	408.021452
ΔH_f, kcal/mol:	-20.26
Dipole, Da:	2.83
IP(EA), eV:	-9.01(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4-cyanophenoxy)propanoylamino]-3-(3,5-dichlorophenyl)thiourea

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)Cl)NC(=S)NN2C(=O)C(NC2=O)(C)C3=CC=CC=C3)C

DOS

IR

Vibrations