Geometry & MOs

Info

ID:

168272

PubChem CID:

74943112

Reduced:

O17C29H36 (1)

Stoich.:

A17B29C36 (1)

Weight, g/mol:

710.302173

ΔHf, kcal/mol:

-707.13

Dipole, Da:

4.61

IP(EA), eV:

 -8.99(-1.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(cyclopropylsulfonylcarbamoyl)-2-(difluoromethyl)cyclopropyl]-4-[5-(4-methoxyphenyl)tetrazol-2-yl]-1-[3-methyl-2-(2-propan-2-yloxyethylamino)butanoyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1O)OC)C2CC(=O)C3=C(C(=C(C(=C3O2)C4C(C(C(C(O4)CO)O)O)O)O)C5C(C(C(C(O5)CO)O)O)O)O

DOS

IR

Vibrations