Geometry & MOs

Info

ID:	67243
PubChem CID:	46506125
Reduced:	BrSN2O4C23H27 (1)
Stoich.:	ABC2D4E23F27 (1)
Weight, g/mol:	549.12969
ΔH_f, kcal/mol:	-127.66
Dipole, Da:	7.09
IP(EA), eV:	-9.0(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(5-bromo-1-propanoyl-2,3-dihydroindol-6-yl)sulfonyl]-N-[4-(diethylamino)-2-methylphenyl]propanamide

Drug info:

PubChemData

Smile

CCC(=O)N1CCC2=CC(=C(C=C21)S(=O)(=O)CCC(=O)N(CC)CC3=CC=CC=C3)Br

DOS

IR

Vibrations