Geometry & MOs

Info

ID:	187726
PubChem CID:	77615609
Reduced:	ON4C23H30 (1)
Stoich.:	AB4C23D30 (1)
Weight, g/mol:	579.25154
ΔH_f, kcal/mol:	1.33
Dipole, Da:	7.48
IP(EA), eV:	-8.52(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-methyl-5-sulfamoylpyrrol-2-yl) N-[3-[5-(2,6-dimethylbenzoyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-1-phenylpropyl]carbamate

Drug info:

PubChemData

Smile

CNC1=CC=C(C=C1)C(=O)N2CC3CN(CC3C2)CCC(C4=CC=CC=C4)N

DOS

IR

Vibrations