Geometry & MOs

Info

ID:	178281
PubChem CID:	76307729
Reduced:	N4O8C23H34 (1)
Stoich.:	A4B8C23D34 (1)
Weight, g/mol:	375.105291
ΔH_f, kcal/mol:	-333.39
Dipole, Da:	5.97
IP(EA), eV:	-8.23(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-fluoropyridin-4-yl)-[4-(2-phenylethenylsulfonyl)piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CC(C)CN1C(C(C(=O)NC1=O)N(CCOC)C(=O)COC(=O)CCC2=CC(=C(C=C2)OC)O)N

DOS

IR

Vibrations