Geometry & MOs

Info

ID:

440138

PubChem CID:

135230038

Reduced:

N2F3O4C32H43 (1)

Stoich.:

A2B3C4D32E43 (1)

Weight, g/mol:

983.347703

ΔHf, kcal/mol:

-357.96

Dipole, Da:

5.7

IP(EA), eV:

 -9.13(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (2S)-2-[[4-[[[3,5-difluoro-4-[[1-methoxy-1-oxo-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

CC1=CC(=C(C(=O)N1C)C2=CC=C(C=C2)C[C@@H](C(=O)O)NC(=O)C3(CCCC3)CC(C)(C)CC(C)(C)C)C(F)(F)F

DOS

IR

Vibrations