Geometry & MOs

Info

ID:	409482
PubChem CID:	135082264
Reduced:	BO3C38H47 (1)
Stoich.:	AB3C38D47 (1)
Weight, g/mol:	254.036128
ΔH_f, kcal/mol:	-152.82
Dipole, Da:	1.91
IP(EA), eV:	-9.14(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-1-(4-methylphenyl)sulfonyl-3-(oxomethylidene)urea

Drug info:

PubChemData

Smile

B1(O[C@@H]([C@H](O1)C2CCCCC2)C3CCCCC3)C(COC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)C(=C)C

DOS

IR

Vibrations