Geometry & MOs

Info

ID:	63594
PubChem CID:	26758708
Reduced:	SN2O5C21H22 (1)
Stoich.:	AB2C5D21E22 (1)
Weight, g/mol:	494.151158
ΔH_f, kcal/mol:	-143.13
Dipole, Da:	6.34
IP(EA), eV:	-8.78(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(2-methoxy-5-methylanilino)-1-oxopropan-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