Geometry & MOs

Info

ID:	46376
PubChem CID:	10524135
Reduced:	NO5C22H27 (1)
Stoich.:	AB5C22D27 (1)
Weight, g/mol:	385.221286
ΔH_f, kcal/mol:	-158.91
Dipole, Da:	3.25
IP(EA), eV:	-8.57(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[(2S)-2-[[(2S,4R)-1-acetyl-4-hydroxypyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC1(OC[C@@H](O1)[C@@H]2[C@H](OC(O2)(C)C)C/[N+](=C/C3=CC=CC4=CC=CC=C43)/[O-])C

DOS

IR

Vibrations