Geometry & MOs

Info

ID:	166037
PubChem CID:	74629240
Reduced:	S2N3O4C16H19 (1)
Stoich.:	A2B3C4D16E19 (1)
Weight, g/mol:	435.190654
ΔH_f, kcal/mol:	-83.72
Dipole, Da:	6.5
IP(EA), eV:	-9.52(-2.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-3-[3-methyl-1-oxo-1-[2-(5-phenyl-1,2-oxazole-3-carbonyl)hydrazinyl]butan-2-yl]urea

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)O)NC(=O)C2C=CC=NC2=S

DOS

IR

Vibrations