Geometry & MOs

Info

ID:	442332
PubChem CID:	135251382
Reduced:	O2N3C9H19 (1)
Stoich.:	A2B3C9D19 (1)
Weight, g/mol:	374.175419
ΔH_f, kcal/mol:	-114.42
Dipole, Da:	2.07
IP(EA), eV:	-9.46(1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-fluorophenyl)-3-[(3R,4S)-5-(hydroxyamino)-3-[(3Z,5E)-5-methoxyhepta-1,3,5-trien-2-yl]-3,4-dihydro-2H-pyrrol-4-yl]urea

Drug info:

PubChemData

Smile

C[13C](=O)NCCCCC(C(=O)N)[15NH]C

DOS

IR

Vibrations