Geometry & MOs

Info

ID:

414886

PubChem CID:

135087858

Reduced:

N6O8C37H48 (1)

Stoich.:

A6B8C37D48 (1)

Weight, g/mol:

397.186238

ΔHf, kcal/mol:

-210.57

Dipole, Da:

6.57

IP(EA), eV:

 -9.49(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-5-(4-methoxyphenyl)-3-pyrrolidin-1-yl-1,2-oxazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1CCC(=O)N2C[C@@H]3C[C@H]2C(=O)NCCCCN(CCCNC(=O)CCC4=CC(=C(O3)C=C4)OC)C(=O)C5=COC=C5)C)C(=O)C

DOS

IR

Vibrations