Geometry & MOs

Info

ID:

133451

PubChem CID:

51529361

Reduced:

Cl2O2N6H19C21 (1)

Stoich.:

A2B2C6D19E21 (1)

Weight, g/mol:

340.19732

ΔHf, kcal/mol:

36.13

Dipole, Da:

15.22

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.948466

Charge, e:

 0

Chem-info

IUPAC name:

1-(4-propan-2-ylphenyl)-3-[(1R)-1-(4-propan-2-ylphenyl)ethyl]thiourea

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)N=C(NC2=CC=C(C=C2)OC)N=C(NC3=CC(=C(C=C3)Cl)Cl)[O-])C

DOS

IR

Vibrations