Geometry & MOs

Info

ID:

443553

PubChem CID:

135259306

Reduced:

SN8O17C63H80 (1)

Stoich.:

AB8C17D63E80 (1)

Weight, g/mol:

633.2976

ΔHf, kcal/mol:

-619.21

Dipole, Da:

4.91

IP(EA), eV:

 -8.68(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3R)-N-ethyl-N-[3-(3-fluoropyridin-4-yl)-1H-indazol-5-yl]-1-[2-[4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)(CO)OCCC(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN)C(=O)NC2=CC=C(C=C2)COC(=O)N3C(C4CC(=C)CN4C(=O)C5=CC(=C(C=C53)OCCCCCOC6=C(C=C7C(=C6)NC(C8CC(=C)CN8C7=O)S(=O)(=O)O)OC)OC)O

DOS

IR

Vibrations