Geometry & MOs

Info

ID:	244385
PubChem CID:	99350554
Reduced:	O3N4C22H28 (1)
Stoich.:	A3B4C22D28 (1)
Weight, g/mol:	453.154469
ΔH_f, kcal/mol:	-67.76
Dipole, Da:	5.69
IP(EA), eV:	-8.06(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[(3S)-1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1N2CC[C@H](C2)CNC(=O)C3=CN=C(C=C3)N4CCOCC4

DOS

IR

Vibrations