Geometry & MOs

Info

ID:	434688
PubChem CID:	135175483
Reduced:	N2S2O4C17H28 (1)
Stoich.:	A2B2C4D17E28 (1)
Weight, g/mol:	766.34633
ΔH_f, kcal/mol:	-136.02
Dipole, Da:	6.88
IP(EA), eV:	-8.43(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[8-[2-[[4-(cyclohexylmethoxy)phenyl]sulfonylamino]-3,3-difluoro-3-[3-(3-methylphenoxy)phenyl]propanoyl]-3-bicyclo[3.2.1]octanyl]carbamate

Drug info:

PubChemData

Smile

CC(C)C(=O)COCCCOCCCOC1=CN=C(C=C1)NS(=S)C

DOS

IR

Vibrations