Geometry & MOs

Info

ID:

449834

PubChem CID:

135302004

Reduced:

O4N5F7C22H28 (1)

Stoich.:

A4B5C7D22E28 (1)

Weight, g/mol:

639.319203

ΔHf, kcal/mol:

-498.32

Dipole, Da:

4.78

IP(EA), eV:

 -9.3(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl N-[1-[[3-[2,6-difluoro-N-[[2-(methoxycarbonylamino)-3,3-dimethylbutanoyl]amino]-4-(1-methylpyrazol-3-yl)anilino]-2-hydroxypropyl]amino]-3,3-dimethyl-1-oxobutan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)([C@@H](C(=O)NC[C@H](CNCC1=C(C=C(C=C1F)/C(=C/C=N/C(F)F)/N)F)O)NC(=O)OC)C(F)(F)F

DOS

IR

Vibrations