Geometry & MOs

Info

ID:

15658

PubChem CID:

446950

Reduced:

N4O11C26H36 (1)

Stoich.:

A4B11C26D36 (1)

Weight, g/mol:

580.238058

ΔHf, kcal/mol:

-497.21

Dipole, Da:

7.12

IP(EA), eV:

 -9.28(-0.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S)-2-[[(2S)-4-carboxy-2-[[4-carboxy-2-[[(2S)-2-formamido-3-(4-hydroxyphenyl)propanoyl]amino]butanoyl]amino]butanoyl]amino]-3-methylpentanoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations