Geometry & MOs

Info

ID:	276257
PubChem CID:	103821777
Reduced:	N3O4C15H23 (1)
Stoich.:	A3B4C15D23 (1)
Weight, g/mol:	339.161663
ΔH_f, kcal/mol:	-110.68
Dipole, Da:	6.68
IP(EA), eV:	-8.85(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[3-[2-(2-amino-2-oxoethyl)sulfanylanilino]propyl]carbamate

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1[N+](=O)[O-])NCCCNC(=O)OC(C)(C)C

DOS

IR

Vibrations