Geometry & MOs

Info

ID:

326567

PubChem CID:

126687790

Reduced:

N7O11C45H67 (1)

Stoich.:

A7B11C45D67 (1)

Weight, g/mol:

473.181393

ΔHf, kcal/mol:

-507.74

Dipole, Da:

9.75

IP(EA), eV:

 -8.72(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (2Z)-2-[6-[[(1R)-4-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]oxy]-1-benzofuran-3-ylidene]acetate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCC(=O)N[C@H](CO)C(=O)N[C@H](C)C(=O)N[C@H](C(=O)N(C)[C@H]1C2=CC(=C(C=C2)O)C3=C(C=CC(=C3)C[C@H](NC(=O)[C@@H](NC1=O)C)C(=O)O)O)N

DOS

IR

Vibrations