Geometry & MOs

Info

ID:	174271
PubChem CID:	75746834
Reduced:	O2N4C24H39 (1)
Stoich.:	A2B4C24D39 (1)
Weight, g/mol:	435.182792
ΔH_f, kcal/mol:	-74.26
Dipole, Da:	2.94
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.753596
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)propanamide

Drug info:

PubChemData

Smile

CC1CC(CN(C1)C(=O)CN2CC[NH+](CC2)CCC(=O)NC(C)C3=CC=CC=C3)C

DOS

IR

Vibrations