Geometry & MOs

Info

ID:	11420
PubChem CID:	115170
Reduced:	SN4O7C12H20 (1)
Stoich.:	AB4C7D12E20 (1)
Weight, g/mol:	364.10527
ΔH_f, kcal/mol:	-322.04
Dipole, Da:	7.69
IP(EA), eV:	-9.42(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-3-(methylcarbamoylsulfanyl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CNC(=O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N

DOS

IR

Vibrations