Geometry & MOs

Info

ID:	436048
PubChem CID:	135193556
Reduced:	NSO2C20H23 (1)
Stoich.:	ABC2D20E23 (1)
Weight, g/mol:	272.196074
ΔH_f, kcal/mol:	-56.51
Dipole, Da:	2.26
IP(EA), eV:	-8.45(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[6-amino-1-(methylaminomethoxy)hexan-2-yl]-3-azidopropanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)SCCC(=O)C2=CC=C(C=C2)C(=O)NC(C)C

DOS

IR

Vibrations