Geometry & MOs

Info

ID:

434767

PubChem CID:

135175684

Reduced:

PO3N4C28H31 (1)

Stoich.:

AB3C4D28E31 (1)

Weight, g/mol:

703.271448

ΔHf, kcal/mol:

-2.27

Dipole, Da:

9.47

IP(EA), eV:

 -8.25(-0.43)

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-(trifluoromethyl)phenyl]propanoyl]piperidin-4-yl]carbamate

Drug info:

PubChemData

Smile

CN(C)CC1CCN2C=C(C3=CC=CC=C32)/C(=C(\C4=CN(CCO1)C5=CC=CC=C54)/C(=O)NC=O)/P

DOS

IR

Vibrations