Geometry & MOs

Info

ID:

234083

PubChem CID:

92297682

Reduced:

SO4N6C27H28 (1)

Stoich.:

AB4C6D27E28 (1)

Weight, g/mol:

569.275053

ΔHf, kcal/mol:

-65.76

Dipole, Da:

3.76

IP(EA), eV:

 -8.71(-1.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-N-cyclopentyl-2-(N-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-2,3-dimethylanilino)-2-pyridin-4-ylacetamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)N([C@H](C2=CC3=C(C=C2)N=CC=C3)C(=O)NCCOC)C(=O)C4=C(C(=NS4)C(=O)N)N)C

DOS

IR

Vibrations