Geometry & MOs

Info

ID:	225341
PubChem CID:	85756493
Reduced:	O8N11C46H61 (1)
Stoich.:	A8B11C46D61 (1)
Weight, g/mol:	303.100777
ΔH_f, kcal/mol:	-282.3
Dipole, Da:	3.24
IP(EA), eV:	-8.52(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-ethynylphenyl)-3-[4-(1,3-oxazol-5-yl)phenyl]urea

Drug info:

PubChemData

Smile

C1CC(NC1)C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)NC(CC4=CC=C(C=C4)O)C(=O)NC(CCCCN)C(=O)NC(CCCN=C(N)N)C(=O)NC(CC5=CC=CC=C5)C(=O)O

DOS

IR

Vibrations