Geometry & MOs

Info

ID:

12163

PubChem CID:

131741

Reduced:

ClN5O7C29H38 (1)

Stoich.:

AB5C7D29E38 (1)

Weight, g/mol:

603.245976

ΔHf, kcal/mol:

-311.69

Dipole, Da:

6.41

IP(EA), eV:

 -8.35(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]acetyl]amino]-3-(4-chlorophenyl)propanoyl]amino]-4-methylpentanoic acid

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NCC(=O)N[C@@H](CC1=CC=C(C=C1)Cl)C(=O)N[C@H](CC(C)C)C(=O)O)NC(=O)[C@H](CC2=CC=C(C=C2)O)N

DOS

IR

Vibrations