Geometry & MOs

Info

ID:	63601
PubChem CID:	26758730
Reduced:	SN2O5C26H26 (1)
Stoich.:	AB2C5D26E26 (1)
Weight, g/mol:	490.156243
ΔH_f, kcal/mol:	-143.22
Dipole, Da:	5.61
IP(EA), eV:	-8.62(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxopropan-2-yl] 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CNC(=O)[C@H](C)OC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCC4=CC=CC=C43

DOS

IR

Vibrations