Geometry & MOs

Info

ID:	334908
PubChem CID:	127253714
Reduced:	ClNO8H30C33 (1)
Stoich.:	ABC8D30E33 (1)
Weight, g/mol:	407.173273
ΔH_f, kcal/mol:	-245.73
Dipole, Da:	3.45
IP(EA), eV:	-8.1(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(4-methoxyphenyl)-2-methylpropyl]-4-oxo-5-phenylmethoxypyran-2-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1CC2=C(C(C(=C(N2)C)C(=O)OC)C3=CC=C(C4=CC=CC=C34)OC)C(=O)[C@]15C(=O)C6=C(O5)C(=C(C=C6OC)OC)Cl

DOS

IR

Vibrations