Geometry & MOs

Info

ID:

186602

PubChem CID:

77451700

Reduced:

ClO2N4C20H21 (1)

Stoich.:

AB2C4D20E21 (1)

Weight, g/mol:

776.292751

ΔHf, kcal/mol:

-42.17

Dipole, Da:

4.98

IP(EA), eV:

 -8.63(-1.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-cyclopropylsulfonyl-14-[(5-methylpyrazolidine-3-carbonyl)amino]-2,15-dioxo-18-[3-(trifluoromethyl)quinoxalin-2-yl]oxy-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)Cl)C=C2C(=O)NC(=CC3=C(NC=N3)C(C)(C)C)C(=O)N2

DOS

IR

Vibrations