Geometry & MOs

Info

ID:	183516
PubChem CID:	77033343
Reduced:	BrSO2N3C12H16 (1)
Stoich.:	ABC2D3E12F16 (1)
Weight, g/mol:	361.00958
ΔH_f, kcal/mol:	-15.16
Dipole, Da:	3.48
IP(EA), eV:	-9.19(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-bromothiophen-2-yl)methyl]-4-(N'-hydroxycarbamimidoyl)oxane-4-carboxamide

Drug info:

PubChemData

Smile

C1CCC(C1)(C(=NO)N)C(=O)NCC2=CC=C(S2)Br

DOS

IR

Vibrations