Geometry & MOs

Info

ID:

340090

PubChem CID:

127262099

Reduced:

SN6O6C30H42 (1)

Stoich.:

AB6C6D30E42 (1)

Weight, g/mol:

694.441784

ΔHf, kcal/mol:

-247.91

Dipole, Da:

9.12

IP(EA), eV:

 -8.91(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]acetyl]amino]-3-phenylpropanoyl]-decylamino]-4-methylpentanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations