Geometry & MOs

Info

ID:	84152
PubChem CID:	49864612
Reduced:	NSO11C18H25 (1)
Stoich.:	ABC11D18E25 (1)
Weight, g/mol:	359.205636
ΔH_f, kcal/mol:	-510.99
Dipole, Da:	6.91
IP(EA), eV:	-9.83(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]butanedioic acid

Drug info:

PubChemData

Smile

CC(=O)OC[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)OC(=O)C)NC(=O)CSC(=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations