Geometry & MOs

Info

ID:	393646
PubChem CID:	135021411
Reduced:	O3H12C13 (1)
Stoich.:	A3B12C13 (1)
Weight, g/mol:	401.94544
ΔH_f, kcal/mol:	-96.01
Dipole, Da:	6.25
IP(EA), eV:	-10.02(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chlorophenyl)-3-(2-iodo-4-methylphenyl)thiourea

Drug info:

PubChemData

Smile

C[C@H]1C2=CC=CC=C2C(=O)[C@@]13CCOC3=O

DOS

IR

Vibrations