Geometry & MOs

Info

ID:

215177

PubChem CID:

85084307

Reduced:

ClNO3C20H31 (2)

Stoich.:

ABC3D20E31 (2)

Weight, g/mol:

738.314214

ΔHf, kcal/mol:

-354.72

Dipole, Da:

3.16

IP(EA), eV:

 -8.38(0.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9H-fluoren-9-ylmethyl 3-[[2-[(2-acetamido-3-acetyloxypropanoyl)amino]acetyl]amino]-4-[[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]amino]-4-oxobutanoate

Drug info:

PubChemData

Smile

CC(CCC(=O)O)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)OCCNC(=O)CCCC5=CC=C(C=C5)N(CCCl)CCCl)C)O)O)C

DOS

IR

Vibrations