Geometry & MOs

Info

ID:	179563
PubChem CID:	76500746
Reduced:	SN5O11C39H59 (1)
Stoich.:	AB5C11D39E59 (1)
Weight, g/mol:	423.2232
ΔH_f, kcal/mol:	-506.09
Dipole, Da:	1.99
IP(EA), eV:	-9.04(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(3-methoxyprop-2-enyl)-3-[(4-phenylphenyl)methoxy]cyclopentyl]thiomorpholine

Drug info:

PubChemData

Smile

CCOC(=O)CS(=O)(=O)CC(C(CC1CCCCC1)N(C(=O)C(CC2=CN(C=N2)C(=O)OC(C)(C)C)N)C(=O)C(CC3=CC=CC=C3)NC(=O)OC(C)(C)C)O

DOS

IR

Vibrations