Geometry & MOs

Info

ID:	279327
PubChem CID:	103843104
Reduced:	BrSF2N2O2H7C11 (1)
Stoich.:	ABC2D2E2F7G11 (1)
Weight, g/mol:	306.9768
ΔH_f, kcal/mol:	-38.59
Dipole, Da:	4.74
IP(EA), eV:	-9.06(-1.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromo-2,5-difluoroanilino)-N-carbamoylacetamide

Drug info:

PubChemData

Smile

C1=C(C(=CC(=C1F)Br)F)NCC2=CSC(=C2)[N+](=O)[O-]

DOS

IR

Vibrations