Geometry & MOs

Info

ID:	44080
PubChem CID:	10500664
Reduced:	N5O6C16H33 (1)
Stoich.:	A5B6C16D33 (1)
Weight, g/mol:	391.135448
ΔH_f, kcal/mol:	-288.57
Dipole, Da:	4.51
IP(EA), eV:	-9.59(0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-methoxyphenyl)-2-(4-methylphenyl)-1-oxo-5-phenyl-1,2,5-thiadiazolidin-3-imine

Drug info:

PubChemData

Smile

CC(C)C[C@@H](C(=O)N)NCCO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CN)O)O)NC(=O)CN

DOS

IR

Vibrations