Geometry & MOs

Info

ID:	40509
PubChem CID:	8144252
Reduced:	SO2N3H19C24 (1)
Stoich.:	AB2C3D19E24 (1)
Weight, g/mol:	337.14895
ΔH_f, kcal/mol:	43.94
Dipole, Da:	3.56
IP(EA), eV:	-8.78(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S,7R)-N-[2-(difluoromethoxy)phenyl]-3-hydroxyadamantane-1-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC3=C(S2)N=C(NC3=O)CN[C@H](C4=CC=CC=C4)C5=CC=CO5

DOS

IR

Vibrations