Geometry & MOs

Info

ID:	245243
PubChem CID:	99438008
Reduced:	FSN4O4C23H29 (1)
Stoich.:	ABC4D4E23F29 (1)
Weight, g/mol:	466.201634
ΔH_f, kcal/mol:	-188.29
Dipole, Da:	9.59
IP(EA), eV:	-9.28(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[(3S)-1-[(E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]prop-2-enoyl]piperidin-3-yl]methyl]-3-(3-fluorophenyl)urea

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations