Geometry & MOs

Info

ID:

228947

PubChem CID:

87566324

Reduced:

N7O7C29H43 (1)

Stoich.:

A7B7C29D43 (1)

Weight, g/mol:

529.215904

ΔHf, kcal/mol:

-303.36

Dipole, Da:

4.57

IP(EA), eV:

 -9.45(-1.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 4-[5-[(Z)-[4-acetylsulfanyl-1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]piperidin-3-ylidene]methyl]tetrazol-2-yl]butanoate

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NCC(=O)NC(CCCN=C(N)N)C(=O)NCC1=CC2=CC=CC=C2OC1=O)NC(=O)OC(C)(C)C

DOS

IR

Vibrations