Geometry & MOs

Info

ID:

328236

PubChem CID:

126700326

Reduced:

O2N7C27H31 (1)

Stoich.:

A2B7C27D31 (1)

Weight, g/mol:

778.280061

ΔHf, kcal/mol:

42.15

Dipole, Da:

4.4

IP(EA), eV:

 -7.78(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9H-fluoren-9-ylmethyl N-[4-[2-[(2,6-difluorophenyl)methylsulfanyl]-5-(3,4-dimethoxy-N-methylanilino)-1-(4-fluorophenyl)imidazol-4-yl]butyl]carbamate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CN(C2=NC=CC(=C2N)C3=NC4=C5N3CCCOC5=CC(=C4)N6CCCC6)N

DOS

IR

Vibrations