Geometry & MOs

Info

ID:	244465
PubChem CID:	99355638
Reduced:	BrClON4H12C17 (1)
Stoich.:	ABCD4E12F17 (1)
Weight, g/mol:	393.089561
ΔH_f, kcal/mol:	51.69
Dipole, Da:	4.07
IP(EA), eV:	-9.24(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-1-benzothiophene-2-carboxylate

Drug info:

PubChemData

Smile

CC1=NC=CC(=N1)C2=CC(=CC=C2)NC(=O)C3=C(N=CC(=C3)Br)Cl

DOS

IR

Vibrations