Geometry & MOs

Info

ID:	214378
PubChem CID:	84981774
Reduced:	OS2N3C17H27 (1)
Stoich.:	AB2C3D17E27 (1)
Weight, g/mol:	426.175933
ΔH_f, kcal/mol:	-22.45
Dipole, Da:	8.95
IP(EA), eV:	-8.54(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methylheptyl)-3-[(1-methylsulfonyl-2,3-dihydroindole-5-carbonyl)amino]thiourea

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations