Geometry & MOs

Info

ID:	369514
PubChem CID:	127334270
Reduced:	SO3N5C18H23 (1)
Stoich.:	AB3C5D18E23 (1)
Weight, g/mol:	397.147156
ΔH_f, kcal/mol:	-57.42
Dipole, Da:	5.52
IP(EA), eV:	-8.28(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(2-fluorophenyl)cyclopropyl]-(4-morpholin-4-ylsulfonylpiperazin-1-yl)methanone

Drug info:

PubChemData

Smile

CC1=NN=C(C=C1)NC2=CC=CC(=C2)C(=O)N3CCCN(CC3)S(=O)(=O)C

DOS

IR

Vibrations