Geometry & MOs

Info

ID:	245232
PubChem CID:	99437990
Reduced:	SN4O4C25H32 (1)
Stoich.:	AB4C4D25E32 (1)
Weight, g/mol:	431.196883
ΔH_f, kcal/mol:	-128.05
Dipole, Da:	9.24
IP(EA), eV:	-8.77(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-fluorophenyl)-3-[[(3S)-1-[2-(furan-2-ylmethylcarbamoylamino)acetyl]piperidin-3-yl]methyl]urea

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)/C=C/S(=O)(=O)NCC(=O)N2CCC[C@@H](C2)CNC(=O)NC3=CC=C(C=C3)C

DOS

IR

Vibrations