Geometry & MOs

Info

ID:	63595
PubChem CID:	26758712
Reduced:	SN2O6C26H26 (1)
Stoich.:	AB2C6D26E26 (1)
Weight, g/mol:	485.08122
ΔH_f, kcal/mol:	-181.36
Dipole, Da:	5.97
IP(EA), eV:	-8.29(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-[(2-chloropyridin-3-yl)amino]-1-oxopropan-2-yl] 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations