Geometry & MOs

Info

ID:

82169

PubChem CID:

49855717

Reduced:

SF2O3N5H29C33 (1)

Stoich.:

AB2C3D5E29F33 (1)

Weight, g/mol:

605.209676

ΔHf, kcal/mol:

-99.72

Dipole, Da:

5.65

IP(EA), eV:

 -8.93(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-cyclopropyl-6-[4-[[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyridine-3-carbonyl]amino]benzoyl]-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide

Drug info:

PubChemData

Smile

C1CC1NC(=O)C2=CC3=C(S2)C4=CC=CC=C4N(CC3)C(=O)C5=CC=C(C=C5)NC(=O)C6=C(N=CC=C6)N7CCC(C7)(F)F

DOS

IR

Vibrations