Geometry & MOs

Info

ID:	314987
PubChem CID:	126624114
Reduced:	ClSN3O4C27H36 (1)
Stoich.:	ABC3D4E27F36 (1)
Weight, g/mol:	434.166015
ΔH_f, kcal/mol:	-167.35
Dipole, Da:	4.56
IP(EA), eV:	-8.32(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[4-(1-adamantyl)-5-chloro-2-fluoro-3-methoxybenzoyl]cyclobutane-1-carboxylate

Drug info:

PubChemData

Smile

CCN(C1CCC2(CC1)OCCO2)C3=C(C4=C(S3)CCN(C4=O)CC5=C(C=C(N=C5OCC)C)Cl)C

DOS

IR

Vibrations