Geometry & MOs

Info

ID:	214373
PubChem CID:	84981718
Reduced:	SO2N3C18H29 (1)
Stoich.:	AB2C3D18E29 (1)
Weight, g/mol:	411.147276
ΔH_f, kcal/mol:	-67.37
Dipole, Da:	6.06
IP(EA), eV:	-8.8(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[4-(1,3-dithiolan-2-yl)benzoyl]amino]-3-(2-methylheptyl)thiourea

Drug info:

PubChemData

Smile

CCCCCC(C)CNC(=S)NNC(=O)COC1=CC=CC(=C1)C

DOS

IR

Vibrations