Geometry & MOs

Info

ID:	15571
PubChem CID:	444583
Reduced:	SN3O6C14H24 (1)
Stoich.:	AB3C6D14E24 (1)
Weight, g/mol:	362.138582
ΔH_f, kcal/mol:	-261.24
Dipole, Da:	2.81
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752337
Charge, e:	-1

Chem-info

IUPAC name:

(2R)-2-[[(5S)-5-amino-5-carboxypentanoyl]amino]-3-[[(1R)-1-carboxy-2-methylpropyl]amino]-3-oxopropane-1-thiolate

Drug info:

PubChemData

Smile

CC(C)[C@H](C(=O)O)NC(=O)[C@H](C[S-])NC(=O)CCC[C@@H](C(=O)O)N

DOS

IR

Vibrations