Geometry & MOs

Info

ID:	63599
PubChem CID:	26758723
Reduced:	SN2O5C25H30 (1)
Stoich.:	AB2C5D25E30 (1)
Weight, g/mol:	470.187543
ΔH_f, kcal/mol:	-180.81
Dipole, Da:	3.96
IP(EA), eV:	-8.66(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl] 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1CCCCCC1)OC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCC4=CC=CC=C43

DOS

IR

Vibrations