Geometry & MOs

Info

ID:	139389
PubChem CID:	52521931
Reduced:	ON7C19H29 (1)
Stoich.:	AB7C19D29 (1)
Weight, g/mol:	346.127048
ΔH_f, kcal/mol:	19.69
Dipole, Da:	8.41
IP(EA), eV:	-8.92(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-tert-butylphenyl)-3-(2-chloro-4,6-dimethylphenyl)thiourea

Drug info:

PubChemData

Smile

C[C@@H]1C[C@@H](CN(C1)C(=O)CN2CCN(CC2)C3=CC(=NC4=NC=NN34)C)C

DOS

IR

Vibrations