Geometry & MOs

Info

ID:

185133

PubChem CID:

77260080

Reduced:

S2F3O3N7H10C17 (1)

Stoich.:

A2B3C3D7E10F17 (1)

Weight, g/mol:

764.280375

ΔHf, kcal/mol:

-97.57

Dipole, Da:

12.1

IP(EA), eV:

 -9.61(-2.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-cyclopropylsulfonyl-18-(3-ethyl-7-fluoroquinoxalin-2-yl)oxy-14-[(3-fluorobenzoyl)amino]-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide

Drug info:

PubChemData

Smile

CCNC(=O)NC1=NC=C(C(=C1)C2=NC(=CS2)C(F)(F)F)C3=NC4=C(S3)C(=O)N=NC4=O

DOS

IR

Vibrations