Geometry & MOs

Info

ID:	123736
PubChem CID:	50860221
Reduced:	BrSO2N3C26H28 (1)
Stoich.:	ABC2D3E26F28 (1)
Weight, g/mol:	464.20597
ΔH_f, kcal/mol:	-38.97
Dipole, Da:	12.71
IP(EA), eV:	-8.49(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(Z)-(1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-7-methoxy-5-nitro-1-benzofuran-2-carboxamide

Drug info:

PubChemData

Smile

CCN1C2=C(C=C(C=C2)/C=C\3/C(=O)NC(=S)N(C3=O)C4=C(C=C(C=C4)Br)C)C(CC1(C)C)C

DOS

IR

Vibrations