Geometry & MOs

Info

ID:	245417
PubChem CID:	99444508
Reduced:	O2N3C28H33 (1)
Stoich.:	A2B3C28D33 (1)
Weight, g/mol:	463.229348
ΔH_f, kcal/mol:	-45.63
Dipole, Da:	5.53
IP(EA), eV:	-8.49(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methylbutyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]benzamide

Drug info:

PubChemData

Smile

CC(C)[C@H](CNC(=O)CNC(=O)CC1=CC=CC2=CC=CC=C21)N3CCC4=CC=CC=C4C3

DOS

IR

Vibrations