Geometry & MOs

Info

ID:	156837
PubChem CID:	56394633
Reduced:	SN3O5C21H27 (1)
Stoich.:	AB3C5D21E27 (1)
Weight, g/mol:	419.158739
ΔH_f, kcal/mol:	-180.95
Dipole, Da:	2.71
IP(EA), eV:	-8.99(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[2-chloro-4-(trifluoromethyl)anilino]-3-methyl-1-(4-propanoylpiperazin-1-yl)butan-1-one

Drug info:

PubChemData

Smile

CCOC(=O)C1CCN(CC1)C(=O)CN(C)C(=O)C2=C(N=C(S2)C3=CC=C(O3)C)C

DOS

IR

Vibrations