Geometry & MOs

Info

ID:

434651

PubChem CID:

135175408

Reduced:

ClF2N3O4C22H30 (1)

Stoich.:

AB2C3D4E22F30 (1)

Weight, g/mol:

747.255656

ΔHf, kcal/mol:

-290.19

Dipole, Da:

2.12

IP(EA), eV:

 -9.29(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[1-[3-(4-chloro-3-cyclopropyloxyphenyl)-2-[(6-cyclopentyloxynaphthalen-2-yl)sulfonylamino]-3,3-difluoropropanoyl]piperidin-4-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1CC2CCC(C1)N2C(=O)C(C(C3=CC(=C(C=C3)Cl)OC)(F)F)N

DOS

IR

Vibrations