Geometry & MOs

Info

ID:

186526

PubChem CID:

77442745

Reduced:

ClS2N5O7C37H46 (1)

Stoich.:

AB2C5D7E37F46 (1)

Weight, g/mol:

737.291691

ΔHf, kcal/mol:

-230.08

Dipole, Da:

6.67

IP(EA), eV:

 -8.64(-1.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-cyclopropylsulfonyl-17-[7-methoxy-8-methyl-2-(4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl)quinolin-4-yl]oxy-2,14-dioxo-3,15-diazatricyclo[13.3.0.04,6]octadec-7-ene-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)S(=O)(=O)NC(=O)C12CC1C=CCCCCCC(=O)N3CC(CC3C(=O)N2)OC4=CC(=NC5=C4C=CC(=C5Cl)OC)C6=NC(=CS6)C(C)C

DOS

IR

Vibrations