Geometry & MOs

Info

ID:	151692
PubChem CID:	56261155
Reduced:	SN3O4C21H25 (1)
Stoich.:	AB3C4D21E25 (1)
Weight, g/mol:	422.268176
ΔH_f, kcal/mol:	-128.23
Dipole, Da:	10.47
IP(EA), eV:	-9.29(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(1-adamantylamino)phenyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide

Drug info:

PubChemData

Smile

C1CC(N(C1)S(=O)(=O)C2=CC=CC=C2)C(=O)NCCNC(=O)CC3=CC=CC=C3

DOS

IR

Vibrations