Geometry & MOs

Info

ID:

149435

PubChem CID:

53789108

Reduced:

PCl4N4O6C33H45 (1)

Stoich.:

AB4C4D6E33F45 (1)

Weight, g/mol:

986.476455

ΔHf, kcal/mol:

-335.91

Dipole, Da:

8.83

IP(EA), eV:

 -8.96(-1.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[(2S)-6-amino-1-[(2-amino-2-oxoethyl)amino]-1-oxohexan-2-yl]-N-[(2S)-1-[(2R)-2-(ditritylamino)-3-sulfanylpropanoyl]pyrrolidine-2-carbonyl]carbamate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCC(=O)NC1=CC(=C(C=C1)Cl)NC2=C(C(=O)NN2)OP(=O)(OCC)OC(C)C3=C(C=C(C=C3Cl)Cl)Cl

DOS

IR

Vibrations