Geometry & MOs

Info

ID:	310714
PubChem CID:	126584522
Reduced:	SN2O3C9H11 (2)
Stoich.:	AB2C3D9E11 (2)
Weight, g/mol:	457.13889
ΔH_f, kcal/mol:	-197.99
Dipole, Da:	3.68
IP(EA), eV:	-9.13(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[2-(2,6-dimethyl(115N)azinan-1-yl)acetyl]amino]-N-[2-[(2-iodoacetyl)amino]ethyl](1,2,3-13C3)propanamide

Drug info:

PubChemData

Smile

C1CC(=O)N(C1=O)OC(=O)CCNC(=O)CCNC(=O)CCSSC2=CC=CC=N2

DOS

IR

Vibrations