Geometry & MOs

Info

ID:	277300
PubChem CID:	103827705
Reduced:	SN3O4C9H17 (1)
Stoich.:	AB3C4D9E17 (1)
Weight, g/mol:	305.156184
ΔH_f, kcal/mol:	-186.63
Dipole, Da:	4.52
IP(EA), eV:	-10.34(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-3-(1H-indol-3-yl)-N-(4-methylsulfanylbutyl)propanamide

Drug info:

PubChemData

Smile

CC1CS(=O)(=O)CCN1C(=O)C(CC(=O)N)N

DOS

IR

Vibrations