Geometry & MOs

Info

ID:	192171
PubChem CID:	78235924
Reduced:	BrSO3N4H13C17 (1)
Stoich.:	ABC3D4E13F17 (1)
Weight, g/mol:	312.98845
ΔH_f, kcal/mol:	22.52
Dipole, Da:	2.78
IP(EA), eV:	-9.02(-2.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-5-bromo-2-sulfanylideneimidazolidine-4-carboxamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC3=NC(=O)N=C3C=C2)Br

DOS

IR

Vibrations