Geometry & MOs

Info

ID:

443515

PubChem CID:

135259232

Reduced:

SO3N7C25H29 (1)

Stoich.:

AB3C7D25E29 (1)

Weight, g/mol:

673.348886

ΔHf, kcal/mol:

-39.16

Dipole, Da:

6.92

IP(EA), eV:

 -8.81(-1.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C2C(=O)NC3(N2C(=O)C(=C1)NC4=C5C=C(SC5=NC=N4)C(=O)N6CCC(CC6)N(C)C)CCC3

DOS

IR

Vibrations