Geometry & MOs

Info

ID:	333912
PubChem CID:	127252464
Reduced:	SO2N4C21H26 (1)
Stoich.:	AB2C4D21E26 (1)
Weight, g/mol:	352.189926
ΔH_f, kcal/mol:	-36.58
Dipole, Da:	7.98
IP(EA), eV:	-8.71(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3aR,7aR)-2-(isoquinoline-1-carbonyl)-5-methyl-1,3,4,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-3a-yl]acetamide

Drug info:

PubChemData

Smile

CC(=O)N[C@]12CN(C[C@H]1CCN(C2)C(=O)C3=CSC(=N3)CC4=CC=CC=C4)C

DOS

IR

Vibrations