Geometry & MOs

Info

ID:	204688
PubChem CID:	79997616
Reduced:	BrSO2N3C12H16 (1)
Stoich.:	ABC2D3E12F16 (1)
Weight, g/mol:	318.99901
ΔH_f, kcal/mol:	-22.45
Dipole, Da:	1.2
IP(EA), eV:	-9.28(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-amino-4-hydroxyiminobutyl)-5-bromo-4-methylthiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SC(=C1)C(=O)NC2(CCCC2)C(=NO)N)Br

DOS

IR

Vibrations