Geometry & MOs

Info

ID:	313102
PubChem CID:	126611976
Reduced:	SO2F3H29C33 (1)
Stoich.:	AB2C3D29E33 (1)
Weight, g/mol:	606.209692
ΔH_f, kcal/mol:	-163.58
Dipole, Da:	1.43
IP(EA), eV:	-9.1(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[[5-[2-(3-chlorophenyl)-4-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]phenyl]furan-2-yl]methyl]carbamate

Drug info:

PubChemData

Smile

CC1=C(SC(=C1C)C2=C(C=C(C=C2)C3=CC=C(C=C3)C(=O)C4CCCC(CC4)(F)F)C5=CC=C(C=C5)F)C=O

DOS

IR

Vibrations