Geometry & MOs

Info

ID:

298634

PubChem CID:

117653079

Reduced:

O4N9C30H37 (1)

Stoich.:

A4B9C30D37 (1)

Weight, g/mol:

601.312501

ΔHf, kcal/mol:

-21.59

Dipole, Da:

11.06

IP(EA), eV:

 -8.67(-1.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-methyl-1-[5-[2-methyl-4-[4-[(3-methylpyridin-2-yl)-[(3R)-piperidin-3-yl]carbamoyl]phenyl]pyrazol-3-yl]tetrazol-2-yl]propyl] propan-2-yl carbonate

Drug info:

PubChemData

Smile

CCC(N1N=C(N=N1)C2=C(C=NN2C)C3=CC=C(C=C3)C(=O)N([C@@H]4CCCNC4)C5=C(C=CC=N5)C)OC(=O)OC(C)C

DOS

IR

Vibrations