Geometry & MOs

Info

ID:

388800

PubChem CID:

134990258

Reduced:

ClS2N5O7C17H18 (1)

Stoich.:

AB2C5D7E17F18 (1)

Weight, g/mol:

774.406461

ΔHf, kcal/mol:

-162.99

Dipole, Da:

9.84

IP(EA), eV:

 -9.03(-1.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylbutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoate

Drug info:

PubChemData

Smile

COCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)/C(=N\OC)/C3=CSC(=N3)NC(=O)CCl)SC1)C(=O)O

DOS

IR

Vibrations