Geometry & MOs

Info

ID:

440512

PubChem CID:

135230498

Reduced:

F2O4N7C30H31 (1)

Stoich.:

A2B4C7D30E31 (1)

Weight, g/mol:

580.297345

ΔHf, kcal/mol:

-108.0

Dipole, Da:

9.5

IP(EA), eV:

 -9.2(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[(4R,5S)-2-(cyclopropylmethyl)-5-(3,4-difluorophenyl)-1,2-oxazolidin-4-yl]-3-[4-methyl-5-[(1-methylpiperidin-4-yl)methoxy]-2-phenylpyrazol-3-yl]urea

Drug info:

PubChemData

Smile

CC1=C(N(N=C1C2=CC(=NC=C2)C(=O)NC)C3=CC=CC=C3)NC(=O)N[C@@H]4CN(O[C@H]4C5=CC(=C(C=C5)F)F)CCOC

DOS

IR

Vibrations