Geometry & MOs

Info

ID:

298837

PubChem CID:

117660823

Reduced:

SO2N3C27H35 (1)

Stoich.:

AB2C3D27E35 (1)

Weight, g/mol:

687.34928

ΔHf, kcal/mol:

-57.3

Dipole, Da:

5.91

IP(EA), eV:

 -8.54(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl (3R)-3-[[4-[1-methyl-5-[2-(1-propan-2-yloxycarbonyloxypropyl)tetrazol-5-yl]pyrazol-4-yl]benzoyl]-(3-methylpyridin-2-yl)amino]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=CN=C1N(C)C)C2=C3C4=C(CCCC4)SC3=NC(=C2[C@@H](C(=O)C)OC(C)(C)C)C

DOS

IR

Vibrations