Geometry & MOs

Info

ID:	326713
PubChem CID:	126688072
Reduced:	SO4N5C26H33 (1)
Stoich.:	AB4C5D26E33 (1)
Weight, g/mol:	252.01235
ΔH_f, kcal/mol:	-54.35
Dipole, Da:	6.88
IP(EA), eV:	-8.68(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z,3Z)-3-(1-iodopropylimino)but-1-en-1-amine

Drug info:

PubChemData

Smile

CCN(CC)CC#CC1=CN(C2=NC=NC(=C12)CCC3=CC=CC=C3)[C@H]4CC[C@H](O4)COS(=O)(=O)N

DOS

IR

Vibrations