Geometry & MOs

Info

ID:

82171

PubChem CID:

49855719

Reduced:

S2N3O3H27C34 (1)

Stoich.:

A2B3C3D27E34 (1)

Weight, g/mol:

563.199111

ΔHf, kcal/mol:

28.18

Dipole, Da:

6.48

IP(EA), eV:

 -8.85(-0.99)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[4-[[3-(azetidin-1-yl)pyridine-4-carbonyl]amino]benzoyl]-N-cyclopropyl-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=CC=CC=C6C7=CC=CS7

DOS

IR

Vibrations