Geometry & MOs

Info

ID:	409895
PubChem CID:	135082682
Reduced:	B2O2C25H42 (1)
Stoich.:	A2B2C25D42 (1)
Weight, g/mol:	240.020478
ΔH_f, kcal/mol:	-170.31
Dipole, Da:	1.76
IP(EA), eV:	-9.26(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methylsulfonyl-3-(oxomethylidene)-1-phenylurea

Drug info:

PubChemData

Smile

B1(OCCO1)/C=C/CB([C@@H]2C[C@@H]3C[C@H]([C@H]2C)C3(C)C)[C@@H]4C[C@@H]5C[C@H]([C@H]4C)C5(C)C

DOS

IR

Vibrations