Geometry & MOs

Info

ID:	324917
PubChem CID:	126678621
Reduced:	N3S3O7C26H43 (1)
Stoich.:	A3B3C7D26E43 (1)
Weight, g/mol:	277.098394
ΔH_f, kcal/mol:	-345.36
Dipole, Da:	10.64
IP(EA), eV:	-8.32(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2R)-3-hydroxy-2-[[(E)-3-hydroxy-7-sulfanylhept-4-enoyl]amino]propanoate

Drug info:

PubChemData

Smile

CCC(C)[C@@H]1[C@H](CC(=O)O[C@@H](CC(=O)N[C@@H](C(=O)N[C@@H](C(=O)N1)CSSCCC=C)CCSC)C)OC(=O)C

DOS

IR

Vibrations