Geometry & MOs

Info

ID:	434590
PubChem CID:	135175274
Reduced:	ClF2O4H11C16 (1)
Stoich.:	AB2C4D11E16 (1)
Weight, g/mol:	534.209692
ΔH_f, kcal/mol:	-198.77
Dipole, Da:	1.43
IP(EA), eV:	-9.34(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[8-[2-amino-3-[4-(4-chlorophenoxy)phenyl]-3,3-difluoropropanoyl]-3-bicyclo[3.2.1]octanyl]carbamate

Drug info:

PubChemData

Smile

COC(=O)C(=O)C(C1=CC=C(C=C1)OC2=CC=C(C=C2)Cl)(F)F

DOS

IR

Vibrations