Geometry & MOs

Info

ID:

312403

PubChem CID:

126604698

Reduced:

O2S2N3H15C16 (1)

Stoich.:

A2B2C3D15E16 (1)

Weight, g/mol:

1720.762308

ΔHf, kcal/mol:

21.79

Dipole, Da:

5.86

IP(EA), eV:

-8.16(-1.11)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

methyl (2S)-5-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[(2S)-4-(4-amino-4-oxobutanoyl)oxy-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]pyrrolidin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-[[4-[[2-(2-methylpropanoylamino)-4-oxo-1H-pteridin-6-yl]methyl-(2,2,2-trifluoroacetyl)amino]benzoyl]amino]-5-oxopentanoate

Drug info:

PubChemData

Smile

CNC1=NC=C(C=C1)OC2=C3C(=C(S2)C=O)CC/C(=C/N)/C3=S

DOS

IR

Vibrations