Geometry & MOs

Info

ID:

15569

PubChem CID:

444560

Reduced:

N4O12C29H40 (1)

Stoich.:

A4B12C29D40 (1)

Weight, g/mol:

636.264273

ΔHf, kcal/mol:

-559.89

Dipole, Da:

7.97

IP(EA), eV:

 -10.14(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-[4-(carboxymethyl)phenyl]propanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-3-methylpentanoic acid

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H](C(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC1=CC=C(C=C1)CC(=O)O)NC(=O)C

DOS

IR

Vibrations