Geometry & MOs

Info

ID:	324406
PubChem CID:	126677606
Reduced:	N3S3O7C25H39 (1)
Stoich.:	A3B3C7D25E39 (1)
Weight, g/mol:	307.091201
ΔH_f, kcal/mol:	-334.03
Dipole, Da:	5.16
IP(EA), eV:	-8.66(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[(E)-3-hydroxy-7-sulfanylhept-4-enoyl]amino]-4-methylsulfanylbutanoic acid

Drug info:

PubChemData

Smile

CCC(C)[C@@H]1[C@H](CC(=O)O[C@H]\2CC(=O)N[C@@H](C(=O)N[C@H](CSSCC/C=C2)C(=O)N1)CCSC)OC(=O)C

DOS

IR

Vibrations