Geometry & MOs

Info

ID:	33255
PubChem CID:	7885665
Reduced:	SN2O3C14H18 (1)
Stoich.:	AB2C3D14E18 (1)
Weight, g/mol:	424.199822
ΔH_f, kcal/mol:	-123.01
Dipole, Da:	2.31
IP(EA), eV:	-8.82(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 2-[(4-butoxybenzoyl)amino]acetate

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)OC(C)(C)C)C

DOS

IR

Vibrations