Geometry & MOs

Info

ID:

82343

PubChem CID:

49855915

Reduced:

SN3O3H31C37 (1)

Stoich.:

AB3C3D31E37 (1)

Weight, g/mol:

560.188212

ΔHf, kcal/mol:

14.3

Dipole, Da:

4.29

IP(EA), eV:

 -9.04(-1.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-cyclopropyl-6-[4-[(1-methylindole-7-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=CC=CC=C6CC7=CC=CC=C7

DOS

IR

Vibrations