Geometry & MOs

Info

ID:

167393

PubChem CID:

74819360

Reduced:

O4C25H28 (1)

Stoich.:

A4B25C28 (1)

Weight, g/mol:

1017.331644

ΔHf, kcal/mol:

-128.15

Dipole, Da:

6.41

IP(EA), eV:

 -9.3(-0.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one;3-methyl-4-oxo-1,2-dihydroimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide;6-phenylmethoxy-7H-purin-2-amine

Drug info:

PubChemData

Smile

CC(=CCCC(=CCOC1=CC(=C2C(=O)CC(OC2=C1)C3=CC=CC=C3)O)C)C

DOS

IR

Vibrations