Geometry & MOs

Info

ID:	175207
PubChem CID:	75866506
Reduced:	Cl2N2O3C21H22 (1)
Stoich.:	A2B2C3D21E22 (1)
Weight, g/mol:	424.182064
ΔH_f, kcal/mol:	-98.99
Dipole, Da:	2.71
IP(EA), eV:	-9.04(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-N-butyl-N-(1,1-dioxothiolan-3-yl)indole-3-carboxamide

Drug info:

PubChemData

Smile

COC(=O)C(C1=CC=CC=C1Cl)N2CCN(CC2)C(=O)CC3=CC=CC=C3Cl

DOS

IR

Vibrations