Geometry & MOs

Info

ID:

322111

PubChem CID:

126668691

Reduced:

O2N6C53H54 (1)

Stoich.:

A2B6C53D54 (1)

Weight, g/mol:

522.173705

ΔHf, kcal/mol:

109.27

Dipole, Da:

12.52

IP(EA), eV:

 -7.8(-1.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4R)-N-(6-fluoropyridin-2-yl)-4-[2-(2-methylpyrazol-3-yl)-4-propan-2-yloxyphenyl]-3,4-dihydro-2H-chromene-7-sulfonamide

Drug info:

PubChemData

Smile

CC1(CCN2CCC(C3=C2C1=CC(=C3)/C=C/C4=CC(=C(C#N)C#N)C=C(O4)C(C)(C)CCC5=CC(=C(C#N)C#N)C=C(O5)/C=C/C6=CC7=C8C(=C6)CCCN8CCC7)(C)C)C

DOS

IR

Vibrations