Geometry & MOs

Info

ID:

415408

PubChem CID:

135088402

Reduced:

ClO2N5C14H18 (1)

Stoich.:

AB2C5D14E18 (1)

Weight, g/mol:

603.269299

ΔHf, kcal/mol:

-20.25

Dipole, Da:

2.22

IP(EA), eV:

 -8.79(-0.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(11R)-20-methoxy-15-(6-methoxy-3-methyl-1-benzofuran-2-carbonyl)-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

CC1=NOC(=C1)C[C@@H]2CN(C[C@H]2O)C3=NC(=NC(=C3Cl)C)N

DOS

IR

Vibrations