Geometry & MOs

Info

ID:	67212
PubChem CID:	46506072
Reduced:	BrSN2O4C22H25 (1)
Stoich.:	ABC2D4E22F25 (1)
Weight, g/mol:	529.08822
ΔH_f, kcal/mol:	-134.86
Dipole, Da:	6.96
IP(EA), eV:	-8.62(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[3-[(5-bromo-1-propanoyl-2,3-dihydroindol-6-yl)sulfonyl]propanoyl]piperazine-1-carboxylate

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)NC(=O)CCS(=O)(=O)C2=C(C=C3CCN(C3=C2)C(=O)CC)Br

DOS

IR

Vibrations