Geometry & MOs

Info

ID:	405163
PubChem CID:	135072802
Reduced:	NSO4C22H25 (1)
Stoich.:	ABC4D22E25 (1)
Weight, g/mol:	381.05757
ΔH_f, kcal/mol:	-64.11
Dipole, Da:	8.48
IP(EA), eV:	-8.93(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 2-bromo-2-[3-(1-methylindol-3-yl)propyl]propanedioate

Drug info:

PubChemData

Smile

CC#CCCC(CCC1=CC=CC=C1)N(OC(=O)C2=CC=CC=C2)S(=O)(=O)C

DOS

IR

Vibrations