Geometry & MOs

Info

ID:

17307

PubChem CID:

492324

Reduced:

SN4O7C22H38 (1)

Stoich.:

AB4C7D22E38 (1)

Weight, g/mol:

502.246121

ΔHf, kcal/mol:

-346.88

Dipole, Da:

6.18

IP(EA), eV:

 -8.95(0.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-2-[[(2S)-1-[(2S)-2-[[(2S,3S)-2-(2-carboxyethylamino)-3-methylpentanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]-3-sulfanylpropanoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations