Geometry & MOs

Info

ID:

234254

PubChem CID:

92298033

Reduced:

SO5N6C33H34 (1)

Stoich.:

AB5C6D33E34 (1)

Weight, g/mol:

589.184936

ΔHf, kcal/mol:

-85.05

Dipole, Da:

3.14

IP(EA), eV:

 -8.61(-1.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-N-benzyl-2-[N-[2-[5-(2-fluorophenyl)tetrazol-2-yl]acetyl]-3-(trifluoromethyl)anilino]-2-pyridin-4-ylacetamide

Drug info:

PubChemData

Smile

C1CCC(CC1)NC(=O)C2=NSC(=C2N)C(=O)N(C3=CC4=C(C=C3)OCCO4)[C@@H](C5=CC=NC=C5)C(=O)NCC6=CC=CC=C6

DOS

IR

Vibrations