Geometry & MOs

Info

ID:

432742

PubChem CID:

135172879

Reduced:

NOSCl2H7C8 (1)

Stoich.:

ABCD2E7F8 (1)

Weight, g/mol:

1013.587128

ΔHf, kcal/mol:

-27.4

Dipole, Da:

3.96

IP(EA), eV:

-8.67(-0.98)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

(2S)-2-[[(2R,3R)-3-[(3S,6S)-2-[(3R,4S,5S)-4-[[(2S)-2-[[(2S)-2-[6-[3-(aminomethylsulfanyl)-2,5-dioxopyrrolidin-1-yl]hexanoyl-methylamino]-3-methylbutanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]-6-methyl-2-azabicyclo[3.1.0]hexan-3-yl]-3-methoxy-2-methylpropanoyl]amino]-3-phenylpropanoic acid

Drug info:

PubChemData

Smile

CSNC(=O)C1=C(C=CC=C1Cl)Cl

DOS

IR

Vibrations