Geometry & MOs

Info

ID:	62971
PubChem CID:	26737851
Reduced:	O3N4C25H28 (1)
Stoich.:	A3B4C25D28 (1)
Weight, g/mol:	471.198048
ΔH_f, kcal/mol:	-33.05
Dipole, Da:	4.93
IP(EA), eV:	-8.87(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-4-(1,3-benzothiazol-2-yl)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-(furan-2-yl)pent-4-en-1-one

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3=NN(C(=O)C=C3)CCOC4=CC=CC=C4)C

DOS

IR

Vibrations