Geometry & MOs

Info

ID:	233873
PubChem CID:	92126127
Reduced:	SO2N6C16H22 (1)
Stoich.:	AB2C6D16E22 (1)
Weight, g/mol:	435.209282
ΔH_f, kcal/mol:	-22.43
Dipole, Da:	4.2
IP(EA), eV:	-9.07(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1H-indol-3-ylsulfanyl)-N-[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]acetamide

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C(=NC=N2)N3CCC(CC3)NS(=O)(=O)C4=CN=CN4

DOS

IR

Vibrations