Geometry & MOs

Info

ID:

160824

PubChem CID:

57389902

Reduced:

NaSCl2N2O3C18H21 (1)

Stoich.:

ABC2D2E3F18G21 (1)

Weight, g/mol:

525.321609

ΔHf, kcal/mol:

-65.49

Dipole, Da:

46.54

IP(EA), eV:

 -5.98(-1.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-N-[[6,6-dimethyl-4-[7-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-7,8-dihydro-5H-quinazolin-2-yl]methyl]butan-2-amine

Drug info:

PubChemData

Smile

CCCCCOCNC1=CC=C(C=C1)S(=O)(=O)[N-]C2=C(C=CC=C2Cl)Cl.[Na+]

DOS

IR

Vibrations