Geometry & MOs

Info

ID:	183512
PubChem CID:	77033331
Reduced:	BrSN2O5C11H13 (1)
Stoich.:	ABC2D5E11F13 (1)
Weight, g/mol:	289.065176
ΔH_f, kcal/mol:	-184.68
Dipole, Da:	5.82
IP(EA), eV:	-9.74(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-chlorothiophen-2-yl)methyl]-2-(N'-hydroxycarbamimidoyl)-3-methylbutanamide

Drug info:

PubChemData

Smile

COC(=O)CC(C(=O)O)NC(=O)NCC1=CC=C(S1)Br

DOS

IR

Vibrations