Geometry & MOs

Info

ID:

181046

PubChem CID:

76715558

Reduced:

N3O5C30H41 (1)

Stoich.:

A3B5C30D41 (1)

Weight, g/mol:

823.343727

ΔHf, kcal/mol:

-195.61

Dipole, Da:

7.75

IP(EA), eV:

 -9.54(0.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

14-benzyl-N-cyclopropylsulfonyl-18-[7-methyl-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-4-yl]oxy-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCCC=CC2CC2(CC(=O)C3CC(CN3C1=O)O)C(=O)NCCC(=O)NCC4=CC=CC=C4

DOS

IR

Vibrations