Geometry & MOs

Info

ID:

82170

PubChem CID:

49855718

Reduced:

SO4N5H31C34 (1)

Stoich.:

AB4C5D31E34 (1)

Weight, g/mol:

589.149384

ΔHf, kcal/mol:

0.0

Dipole, Da:

6.67

IP(EA), eV:

 -8.92(-0.99)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-cyclopropyl-6-[4-[(2-thiophen-2-ylbenzoyl)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)N7CC8(C7)COC8

DOS

IR

Vibrations