Geometry & MOs

Info

ID:	141513
PubChem CID:	52886484
Reduced:	N9C19H19 (1)
Stoich.:	A9B19C19 (1)
Weight, g/mol:	390.138006
ΔH_f, kcal/mol:	186.59
Dipole, Da:	6.41
IP(EA), eV:	-9.04(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[2-[[4-(3-chloropropyl)phenyl]sulfonylamino]ethyl]-N-methylcarbamate

Drug info:

PubChemData

Smile

CN(CCCC1=C(C(=NN1)N)C#N)C2=NN3C(=NN=C3C4=CC=CC=C4)C=C2

DOS

IR

Vibrations