Geometry & MOs

Info

ID:	63592
PubChem CID:	26758700
Reduced:	SN2O5C26H26 (1)
Stoich.:	AB2C5D26E26 (1)
Weight, g/mol:	414.124943
ΔH_f, kcal/mol:	-146.79
Dipole, Da:	4.84
IP(EA), eV:	-8.64(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations