Geometry & MOs

Info

ID:

434532

PubChem CID:

135175140

Reduced:

N6O7C36H48 (1)

Stoich.:

A6B7C36D48 (1)

Weight, g/mol:

669.245091

ΔHf, kcal/mol:

-254.53

Dipole, Da:

8.14

IP(EA), eV:

 -8.33(-0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[1-[3-(4-chlorophenyl)-2-[[4-(cyclohexylmethoxy)phenyl]sulfonylamino]-3,3-difluoropropanoyl]piperidin-4-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC=C(C=C2)OCCCN3CCN(CC3)C4=CC(=C(C=C4)C(=O)N(C)C5CCC(=O)NC5=O)C=O

DOS

IR

Vibrations