Geometry & MOs

Info

ID:	85699
PubChem CID:	49878330
Reduced:	BrSN3O5H16C18 (1)
Stoich.:	ABC3D5E16F18 (1)
Weight, g/mol:	564.14059
ΔH_f, kcal/mol:	-52.29
Dipole, Da:	13.89
IP(EA), eV:	-9.0(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-1-propanoyl-2,3-dihydroindole-7-sulfonamide

Drug info:

PubChemData

Smile

C1CC1C(=O)N2CCC3=C2C(=CC(=C3)Br)S(=O)(=O)NC4=CC(=CC=C4)[N+](=O)[O-]

DOS

IR

Vibrations