Geometry & MOs

Info

ID:	47052
PubChem CID:	10529187
Reduced:	ClSO7C24H25 (1)
Stoich.:	ABC7D24E25 (1)
Weight, g/mol:	493.236542
ΔH_f, kcal/mol:	-260.76
Dipole, Da:	4.38
IP(EA), eV:	-9.05(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(hydroxymethyl)cyclohex-3-en-1-yl]-4-[[(4-methoxyphenyl)-diphenylmethyl]amino]pyrimidin-2-one

Drug info:

PubChemData

Smile

CCS[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)OC(=O)CCl)OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3

DOS

IR

Vibrations