Geometry & MOs

Info

ID:

440142

PubChem CID:

135230042

Reduced:

ClNO2C16H21 (2)

Stoich.:

ABC2D16E21 (2)

Weight, g/mol:

1039.410304

ΔHf, kcal/mol:

-208.64

Dipole, Da:

4.68

IP(EA), eV:

 -8.82(-1.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

propyl (2S)-2-[[4-[[[3,5-difluoro-4-[[1-oxo-1-propoxy-3-[4-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)phenyl]propan-2-yl]carbamoyl]phenyl]methylamino]methyl]-2,6-difluorobenzoyl]amino]-3-[4-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)phenyl]propanoate

Drug info:

PubChemData

Smile

CC(C)(C)CC(C)(C)CC1(CCCC1)C(=O)N[C@@H](CCC2=CC=C(C=C2)NC(=O)C3=C(C=CC=C3Cl)Cl)C(=O)O

DOS

IR

Vibrations