Geometry & MOs

Info

ID:	79622
PubChem CID:	49829743
Reduced:	O3N4C23H30 (1)
Stoich.:	A3B4C23D30 (1)
Weight, g/mol:	415.093498
ΔH_f, kcal/mol:	-84.01
Dipole, Da:	3.77
IP(EA), eV:	-8.89(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[(5-chloropyridin-2-yl)amino]-1-oxopropan-2-yl] 4-(1,3-dioxoisoindol-2-yl)butanoate

Drug info:

PubChemData

Smile

CCNC(=O)NC(=O)C(C1=CC=CC=C1)N(C)CC2=CC=CC=C2N3CCOCC3

DOS

IR

Vibrations