Geometry & MOs

Info

ID:

443545

PubChem CID:

135259289

Reduced:

SO2N4C26H36 (1)

Stoich.:

AB2C4D26E36 (1)

Weight, g/mol:

673.348886

ΔHf, kcal/mol:

-63.06

Dipole, Da:

2.44

IP(EA), eV:

 -8.86(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[(3S)-1-[2-[4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]pyrrolidin-3-yl]ethyl]-N-[3-(6-propan-2-yloxypyridin-3-yl)-1H-indazol-5-yl]formamide

Drug info:

PubChemData

Smile

CCC(C)C1(CCCCC1)NC(=O)/C(=C(\C)/C=C(\C(=O)C)/NC2=C3C=C(SC3=NC=N2)C)/C

DOS

IR

Vibrations