Geometry & MOs

Info

ID:	434731
PubChem CID:	135175593
Reduced:	ON2C25H44 (1)
Stoich.:	AB2C25D44 (1)
Weight, g/mol:	789.22588
ΔH_f, kcal/mol:	-80.43
Dipole, Da:	3.97
IP(EA), eV:	-9.04(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[8-[3-(6-bromonaphthalen-2-yl)-2-[[4-(cyclohexylmethoxy)phenyl]sulfonylamino]-3,3-difluoropropanoyl]-8-azabicyclo[3.2.1]octan-3-yl]carbamate

Drug info:

PubChemData

Smile

CCCCCCCCC(CCCCCCC)N1CC(=C(C1=O)/C=C\C)N=CC

DOS

IR

Vibrations