Geometry & MOs

Info

ID:	324430
PubChem CID:	126677661
Reduced:	NC11H15 (1)
Stoich.:	AB11C15 (1)
Weight, g/mol:	275.155515
ΔH_f, kcal/mol:	33.19
Dipole, Da:	1.38
IP(EA), eV:	-8.08(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S)-2-[[(E)-1-hydroxy-7-sulfanylhept-4-enyl]amino]-3-methylbutanoate

Drug info:

PubChemData

Smile

C/C=C\N(C)CC1=CC=CC=C1

DOS

IR

Vibrations