Geometry & MOs

Info

ID:

340152

PubChem CID:

127262161

Reduced:

N2O2C9H12 (3)

Stoich.:

A2B2C9D12 (3)

Weight, g/mol:

623.40467

ΔHf, kcal/mol:

-242.43

Dipole, Da:

9.72

IP(EA), eV:

 -9.24(-0.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-amino-N-[(2R)-1-[[2-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-dodecylamino]-2-oxoethyl]amino]-1-oxopropan-2-yl]-3-(4-hydroxyphenyl)propanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations