Geometry & MOs

Info

ID:	31989
PubChem CID:	3727064
Reduced:	NO7C20H21 (1)
Stoich.:	AB7C20D21 (1)
Weight, g/mol:	397.118632
ΔH_f, kcal/mol:	-199.93
Dipole, Da:	6.31
IP(EA), eV:	-9.12(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[1-[(4-fluorophenyl)methyl]-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]-3-phenylurea

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2C(=C(C(=O)N2CCOCCO)O)C(=O)C3=CC=CO3

DOS

IR

Vibrations