Geometry & MOs

Info

ID:

32407

PubChem CID:

7785994

Reduced:

SN3O4H16C18 (1)

Stoich.:

AB3C4D16E18 (1)

Weight, g/mol:

370.152872

ΔHf, kcal/mol:

-110.96

Dipole, Da:

4.13

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.125352

Charge, e:

 0

Chem-info

IUPAC name:

1-[4-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethoxy]phenyl]propan-1-one

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N[C@H](S2)NC(=O)CC(=O)NC3=CC=CC=C3C(=O)[O-]

DOS

IR

Vibrations