Geometry & MOs

Info

ID:	396328
PubChem CID:	135028067
Reduced:	O4H22C23 (1)
Stoich.:	A4B22C23 (1)
Weight, g/mol:	427.171834
ΔH_f, kcal/mol:	-100.23
Dipole, Da:	7.47
IP(EA), eV:	-8.9(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methylphenyl)-3-[1-(4-methylphenyl)-2-oxo-4-[(E)-2-phenylethenyl]azetidin-3-yl]thiourea

Drug info:

PubChemData

Smile

CC(=CCC1=C(C=C2C(=C1O)C(=O)C=C(O2)/C=C/C3=CC=CC=C3)OC)C

DOS

IR

Vibrations