Geometry & MOs

Info

ID:	245519
PubChem CID:	99453655
Reduced:	SN3O3C26H29 (1)
Stoich.:	AB3C3D26E29 (1)
Weight, g/mol:	463.192963
ΔH_f, kcal/mol:	-54.95
Dipole, Da:	7.27
IP(EA), eV:	-8.89(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-methyl-4-piperidin-1-ylsulfonylpyrrol-2-yl)-[(4R)-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone

Drug info:

PubChemData

Smile

CN1C=C(C=C1C(=O)N2C[C@H](C3=CC=CC=C3C2)C4=CC=CC=C4)S(=O)(=O)N5CCCCC5

DOS

IR

Vibrations