Geometry & MOs

Info

ID:

187009

PubChem CID:

77517788

Reduced:

FON2H21C23 (1)

Stoich.:

ABC2D21E23 (1)

Weight, g/mol:

760.333296

ΔHf, kcal/mol:

-27.56

Dipole, Da:

3.74

IP(EA), eV:

 -9.28(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3-(4-hydroxyphenyl)-1-[2-[5-[4-[4-[2-[1-[2-(methoxycarbonylamino)propanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamic acid

Drug info:

PubChemData

Smile

C1C(CC2=C1C=CC(=C2)F)NCC3=C(C=C(C=C3)C4=CC=CC=C4)C(=O)N

DOS

IR

Vibrations