Geometry & MOs

Info

ID:	170180
PubChem CID:	75205133
Reduced:	SN3O5C25H25 (1)
Stoich.:	AB3C5D25E25 (1)
Weight, g/mol:	482.146484
ΔH_f, kcal/mol:	-150.05
Dipole, Da:	9.03
IP(EA), eV:	-8.22(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2,4-bis(difluoromethoxy)phenyl]-1-[4-(3-methoxybenzoyl)piperazin-1-yl]prop-2-en-1-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C=C2C(=O)N(C(=O)S2)CCNC(=O)C3CC(=O)N(C3)C4=CC=C(C=C4)OC

DOS

IR

Vibrations