Geometry & MOs

Info

ID:	342818
PubChem CID:	127265981
Reduced:	SO3N4C16H20 (1)
Stoich.:	AB3C4D16E20 (1)
Weight, g/mol:	297.132471
ΔH_f, kcal/mol:	-72.11
Dipole, Da:	5.84
IP(EA), eV:	-9.31(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-3-(2-methyl-3-nitrophenyl)urea

Drug info:

PubChemData

Smile

CCC1=NN=C(S1)NC(=O)NCC2=CC(=CC=C2)C3(OCCO3)C

DOS

IR

Vibrations