Geometry & MOs

Info

ID:	174442
PubChem CID:	75764677
Reduced:	BrS2N3O4H12C16 (1)
Stoich.:	AB2C3D4E12F16 (1)
Weight, g/mol:	309.098765
ΔH_f, kcal/mol:	-80.48
Dipole, Da:	6.24
IP(EA), eV:	-9.03(-2.07)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

ethyl 3-(furan-2-yl)-2-(5-pyridin-3-yl-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl)prop-2-enoate

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Br)NC(=O)CSC2=C(C3=NC(=O)C=C(C3S2)O)C(=O)N

DOS

IR

Vibrations