Geometry & MOs

Info

ID:

434700

PubChem CID:

135175520

Reduced:

BrF2N3O4H36C37 (1)

Stoich.:

AB2C3D4E36F37 (1)

Weight, g/mol:

743.302748

ΔHf, kcal/mol:

-185.68

Dipole, Da:

3.74

IP(EA), eV:

 -9.11(-1.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[1-[2-[[4-(cyclohexylmethoxy)phenyl]sulfonylamino]-3,3-difluoro-3-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]propanoyl]piperidin-4-yl]carbamate

Drug info:

PubChemData

Smile

C1CCC(C1)OC2=CC3=C(C=C2)C=C(C=C3)C(=O)C(=O)N[C@@H](C(=O)N4C5CCC4CC(C5)N)C(C6=CC7=C(C=C6)C=C(C=C7)Br)(F)F

DOS

IR

Vibrations