Geometry & MOs

Info

ID:	238671
PubChem CID:	92765018
Reduced:	OSN7C25H39 (1)
Stoich.:	ABC7D25E39 (1)
Weight, g/mol:	479.24673
ΔH_f, kcal/mol:	16.38
Dipole, Da:	5.47
IP(EA), eV:	-8.19(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

C1CCC(CC1)N2CCN(CC2)CCCNC(=O)[C@H]3CCCN(C3)C4=NN=C(S4)N5C=CC=C5

DOS

IR

Vibrations