Geometry & MOs

Info

ID:

419802

PubChem CID:

135109103

Reduced:

SN2O2C20H24 (1)

Stoich.:

AB2C2D20E24 (1)

Weight, g/mol:

593.25173

ΔHf, kcal/mol:

-50.81

Dipole, Da:

2.82

IP(EA), eV:

 -8.94(-0.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(11R)-15-[(4-chloro-1-methylindazol-3-yl)methyl]-20-methoxy-11-propan-2-yl-18-oxa-3,6,9,12,15-pentazatricyclo[17.3.1.02,6]tricosa-1(23),2,4,19,21-pentaene-10,13-dione

Drug info:

PubChemData

Smile

C[C@H](C1=CC=CC=C1)NC(=O)N2CCC3(CC2)C4=C(CCO3)C=CS4

DOS

IR

Vibrations