Geometry & MOs

Info

ID:	82494
PubChem CID:	49856099
Reduced:	BrN3O3H22C25 (1)
Stoich.:	AB3C3D22E25 (1)
Weight, g/mol:	559.167811
ΔH_f, kcal/mol:	-16.51
Dipole, Da:	4.19
IP(EA), eV:	-9.35(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-6-[4-(quinoxaline-5-carbonylamino)benzoyl]-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=NN=C(C=C1)N2C(/C(=C(\C3=CC=C(C=C3)C(C)C)/O)/C(=O)C2=O)C4=CC=C(C=C4)Br

DOS

IR

Vibrations