Geometry & MOs

Info

ID:	15700
PubChem CID:	447441
Reduced:	N3O5C17H33 (1)
Stoich.:	A3B5C17D33 (1)
Weight, g/mol:	359.242021
ΔH_f, kcal/mol:	-274.35
Dipole, Da:	1.05
IP(EA), eV:	-9.61(0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S)-2-[[[(2S)-1-[(2S,3S)-2-amino-3-methylpentanoyl]pyrrolidin-2-yl]-dihydroxymethyl]amino]-3-methylpentanoic acid

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H](C(=O)N1CCC[C@H]1C(N[C@@H]([C@@H](C)CC)C(=O)O)(O)O)N

DOS

IR

Vibrations