Geometry & MOs

Info

ID:	213103
PubChem CID:	81062890
Reduced:	BrSN3O3C13H22 (1)
Stoich.:	ABC3D3E13F22 (1)
Weight, g/mol:	302.256943
ΔH_f, kcal/mol:	-116.78
Dipole, Da:	3.89
IP(EA), eV:	-9.1(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-methyl-5-[methyl(2-propan-2-yloxyethyl)amino]-2-(propan-2-ylamino)pentanoate

Drug info:

PubChemData

Smile

CCNC1=C(C=C(C=N1)Br)S(=O)(=O)N(C)CCOC(C)C

DOS

IR

Vibrations