Geometry & MOs

Info

ID:	344073
PubChem CID:	127267249
Reduced:	SO2N4C16H22 (1)
Stoich.:	AB2C4D16E22 (1)
Weight, g/mol:	263.090606
ΔH_f, kcal/mol:	-31.85
Dipole, Da:	4.05
IP(EA), eV:	-9.64(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-hydroxybut-3-yn-2-yl)-3-(2-methyl-3-nitrophenyl)urea

Drug info:

PubChemData

Smile

CCC1=NN=C(S1)NC(=O)NC(C2=CC=CC=C2)C(C)(C)CO

DOS

IR

Vibrations