Geometry & MOs

Info

ID:	409622
PubChem CID:	135082404
Reduced:	O5H22C25 (1)
Stoich.:	A5B22C25 (1)
Weight, g/mol:	254.036128
ΔH_f, kcal/mol:	-113.63
Dipole, Da:	1.32
IP(EA), eV:	-8.06(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(benzenesulfonyl)-1-ethyl-3-(oxomethylidene)urea

Drug info:

PubChemData

Smile

CC1(C=CC2=CC3=C(C=CC(O3)(C)C)C(=C2O1)C4=CC5=CC6=C(C=C5O4)OCO6)C

DOS

IR

Vibrations