Geometry & MOs

Info

ID:	159665
PubChem CID:	57288602
Reduced:	CSN2O3H4 (1)
Stoich.:	ABC2D3E4 (1)
Weight, g/mol:	626.34769
ΔH_f, kcal/mol:	-109.04
Dipole, Da:	3.08
IP(EA), eV:	-9.67(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3-benzylcycloheptyl)-[3-[(3-benzylcycloheptyl)-(carbamothioylamino)methyl]phenyl]methyl]thiourea

Drug info:

PubChemData

Smile

C(=N)(N)OS(=O)O

DOS

IR

Vibrations