Geometry & MOs

Info

ID:

328591

PubChem CID:

126725825

Reduced:

OSN2H12C16 (2)

Stoich.:

ABC2D12E16 (2)

Weight, g/mol:

610.381081

ΔHf, kcal/mol:

96.39

Dipole, Da:

0.95

IP(EA), eV:

 -8.48(-2.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-[[5-[[2,5-dimethyl-3-[[2,4,5-trimethyl-3-[(4-methylphenyl)methyl]phenyl]methyl]phenyl]methyl]-2-(hydroxymethyl)-3,6-dimethylphenyl]methyl]phenyl]methanol

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=C3C(=NC4=C(C(=O)N(C4=N3)C)C5=CC=C(C=C5)C6=CC=C(S6)C7=CC=C(S7)C)N(C2=O)C

DOS

IR

Vibrations