Geometry & MOs

Info

ID:

233172

PubChem CID:

87692787

Reduced:

N3O3F6H23C25 (1)

Stoich.:

A3B3C6D23E25 (1)

Weight, g/mol:

1047.37573

ΔHf, kcal/mol:

-361.53

Dipole, Da:

4.25

IP(EA), eV:

 -9.18(-1.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[N-[[4-bromo-7-methoxy-1-(2-methoxyethyl)-2-(4-propan-2-ylphenyl)benzimidazol-5-yl]methyl]anilino]-2-[2-[[7-methoxy-1-(2-methoxyethyl)-2-(4-propan-2-ylphenyl)-4-(trifluoromethyl)benzimidazol-5-yl]methoxy]phenyl]ethanol

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C3=NOC(=C3)C(=O)NCC(C)(C)C

DOS

IR

Vibrations