Geometry & MOs

Info

ID:

311695

PubChem CID:

126596885

Reduced:

NSH35C40 (1)

Stoich.:

ABC35D40 (1)

Weight, g/mol:

620.249566

ΔHf, kcal/mol:

124.66

Dipole, Da:

2.18

IP(EA), eV:

 -7.78(-0.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(10R,14S)-14-[4-(3-amino-6-cyano-1H-indazol-7-yl)-6-oxo-2,3-dihydropyridin-1-yl]-17-methoxy-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-5-yl]carbamic acid

Drug info:

PubChemData

Smile

CC1=C(C(CC=C1)N2C3=C(CCC=C3)C4=CC=CC=C42)C5=CC6=C(C=C5)SC7=C6C=CC8C7C(C9=CC=CC=C89)(C)C

DOS

IR

Vibrations