Geometry & MOs

Info

ID:	223390
PubChem CID:	85334958
Reduced:	NSO2C17H23 (1)
Stoich.:	ABC2D17E23 (1)
Weight, g/mol:	306.067428
ΔH_f, kcal/mol:	-90.05
Dipole, Da:	5.93
IP(EA), eV:	-8.75(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[2-(1H-indol-3-yl)-2-oxoacetyl]amino]-3-sulfanylpropanoate

Drug info:

PubChemData

Smile

CC1(CC2=C(C=CS2)C(=CC(=O)C3CCC(CC3)O)N1)C

DOS

IR

Vibrations