Geometry & MOs

Info

ID:	359269
PubChem CID:	127297803
Reduced:	O2N3C23H31 (1)
Stoich.:	A2B3C23D31 (1)
Weight, g/mol:	399.162806
ΔH_f, kcal/mol:	-71.63
Dipole, Da:	4.17
IP(EA), eV:	-9.24(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-3-[(1-methylcyclopentyl)methyl]urea

Drug info:

PubChemData

Smile

CC1(CC2CC(C1)(CN2C(=O)CCC(=O)N(CCC#N)C3=CC=CC=C3)C)C

DOS

IR

Vibrations