Geometry & MOs

Info

ID:

404693

PubChem CID:

135069585

Reduced:

N2H18C21 (1)

Stoich.:

A2B18C21 (1)

Weight, g/mol:

682.177156

ΔHf, kcal/mol:

86.17

Dipole, Da:

4.9

IP(EA), eV:

 -8.44(-0.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(NZ)-N-[[(1S,2S,5S,12R,22R)-10,17-difluoro-13-(4-methylphenyl)sulfonyl-13-azaheptacyclo[13.9.0.01,22.02,5.02,12.06,11.016,21]tetracosa-6(11),7,9,14,16(21),17,19-heptaen-12-yl]methylidene]-4-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=N1)C2=CC=CC=C2)C3=CC4=C(C=C3)N(C=C4)C

DOS

IR

Vibrations