Geometry & MOs

Info

ID:	326447
PubChem CID:	126687569
Reduced:	N8O13C49H74 (1)
Stoich.:	A8B13C49D74 (1)
Weight, g/mol:	170.069142
ΔH_f, kcal/mol:	-598.32
Dipole, Da:	5.56
IP(EA), eV:	-9.26(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1E,3Z)-1-hydroxypenta-1,3-dienyl]-1-methyl-3-oxourea

Drug info:

Smile

CCCCCCCCCCCCCCCC(=O)N(C)[C@H](CCO)C(=O)N[C@@H](C(=O)NCC(=O)N(C)[C@H]1C2=CC(=C(C=C2)O)C3=C(C=CC(=C3)C[C@H](NC(=O)[C@@H](NC1=O)C)C(=O)NCC(C(=O)O)O)O)N

DOS

IR

Vibrations