Geometry & MOs

Info

ID:

6415

PubChem CID:

68559

Reduced:

SN6O8C31H44 (1)

Stoich.:

AB6C8D31E44 (1)

Weight, g/mol:

660.294134

ΔHf, kcal/mol:

-287.15

Dipole, Da:

4.53

IP(EA), eV:

 -8.61(-0.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

acetic acid;(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]acetyl]amino]-3-phenylpropanoyl]-methylamino]-4-methylsulfanylbutanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations