Geometry & MOs

Info

ID:	67203
PubChem CID:	46506054
Reduced:	SN3O5C16H23 (1)
Stoich.:	AB3C5D16E23 (1)
Weight, g/mol:	567.05942
ΔH_f, kcal/mol:	-215.99
Dipole, Da:	5.95
IP(EA), eV:	-9.2(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(5-bromo-1-propanoyl-2,3-dihydroindol-6-yl)sulfonyl]-1-[4-(2-chlorophenyl)piperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CCOC(CCNC(=O)CCN1C(=O)C2=C(C=CS2)NC1=O)OCC

DOS

IR

Vibrations