Geometry & MOs

Info

ID:	43448
PubChem CID:	10321312
Reduced:	O2N3C28H35 (1)
Stoich.:	A2B3C28D35 (1)
Weight, g/mol:	445.20755
ΔH_f, kcal/mol:	-19.88
Dipole, Da:	4.79
IP(EA), eV:	-8.21(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-3-phenyl-4-[4-(2-piperidin-1-ylethylsulfanyl)phenyl]-3,4-dihydro-2H-chromen-7-ol

Drug info:

PubChemData

Smile

CC(C)(C)[C@@H]1C=CN(C=C1C2N([C@H]([C@@H](N2C)C3=CC=CC=C3)C4=CC=CC=C4)C)C(=O)OC

DOS

IR

Vibrations