Geometry & MOs

Info

ID:	236488
PubChem CID:	92713434
Reduced:	SN2O3C23H32 (1)
Stoich.:	AB2C3D23E32 (1)
Weight, g/mol:	437.231456
ΔH_f, kcal/mol:	-116.89
Dipole, Da:	5.6
IP(EA), eV:	-8.38(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(R)-(4-ethylpiperazin-1-yl)-(4-methoxyphenyl)methyl]-1-(furan-2-ylmethyl)-4-hydroxy-6-methylpyridin-2-one

Drug info:

PubChemData

Smile

CC1CCN(CC1)[C@H](C2=CC=C(C=C2)SC)C3=C(C=C(N(C3=O)CCOC)C)O

DOS

IR

Vibrations