Geometry & MOs

Info

ID:

143674

PubChem CID:

53246374

Reduced:

SN2O6C33H36 (1)

Stoich.:

AB2C6D33E36 (1)

Weight, g/mol:

805.346897

ΔHf, kcal/mol:

-201.21

Dipole, Da:

4.29

IP(EA), eV:

 -8.74(-1.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,4R,6S,7Z,14S,18R)-N-cyclopropylsulfonyl-18-(7-methoxy-8-methyl-2-propan-2-yloxyquinolin-4-yl)oxy-14-[(1-methylpyrazole-3-carbonyl)amino]-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide

Drug info:

PubChemData

Smile

C1COC(OC1)CCOC2=CC3=C4CC(COC4=CN=C3C=C2)C5CCC(CC5)C(=O)C6=CC7=C(C=C6)SCC(=O)N7

DOS

IR

Vibrations