Geometry & MOs

Info

ID:	170700
PubChem CID:	75269296
Reduced:	NO3C18H21 (1)
Stoich.:	AB3C18D21 (1)
Weight, g/mol:	340.064841
ΔH_f, kcal/mol:	-75.91
Dipole, Da:	4.15
IP(EA), eV:	-8.45(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-(6-chloroindol-1-yl)acetyl]amino]-4-methylsulfanylbutanoic acid

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1OC)CNC2C(CC3=CC=CC=C23)O

DOS

IR

Vibrations