Geometry & MOs

Info

ID:	63593
PubChem CID:	26758707
Reduced:	SN2O5C21H22 (1)
Stoich.:	AB2C5D21E22 (1)
Weight, g/mol:	414.124943
ΔH_f, kcal/mol:	-142.09
Dipole, Da:	4.42
IP(EA), eV:	-8.69(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-oxo-1-(prop-2-enylamino)propan-2-yl] 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate

Drug info:

PubChemData

Smile

C[C@H](C(=O)NCC=C)OC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCC3=CC=CC=C32

DOS

IR

Vibrations