Geometry & MOs

Info

ID:

82051

PubChem CID:

49855528

Reduced:

SN3O3H31C33 (1)

Stoich.:

AB3C3D31E33 (1)

Weight, g/mol:

599.180267

ΔHf, kcal/mol:

-20.87

Dipole, Da:

3.12

IP(EA), eV:

 -9.02(-1.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C1=CC=CC=C1C(=O)NC2=CC=C(C=C2)C(=O)N3CCC4=C(C5=CC=CC=C53)SC(=C4)C(=O)NC6CC6

DOS

IR

Vibrations