Geometry & MOs

Info

ID:	243844
PubChem CID:	99289362
Reduced:	SN3O4C23H29 (1)
Stoich.:	AB3C4D23E29 (1)
Weight, g/mol:	418.189257
ΔH_f, kcal/mol:	-106.22
Dipole, Da:	6.32
IP(EA), eV:	-8.4(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3R)-1-cyclopropylpyrrolidin-3-yl]-4-[(4-methyl-2-oxochromen-7-yl)oxymethyl]benzamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)N[C@H]3CCN(C3)C4CC4)OC

DOS

IR

Vibrations