Geometry & MOs

Info

ID:	284433
PubChem CID:	104046519
Reduced:	BrNSO2C11H14 (1)
Stoich.:	ABCD2E11F14 (1)
Weight, g/mol:	242.163043
ΔH_f, kcal/mol:	-38.68
Dipole, Da:	1.33
IP(EA), eV:	-9.24(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-cyclopropyl-2-[[2-(2-methylpropylamino)-2-oxoethyl]amino]acetate

Drug info:

PubChemData

Smile

COC(=O)C(C1CC1)NCC2=C(C=CS2)Br

DOS

IR

Vibrations