Geometry & MOs

Info

ID:	346071
PubChem CID:	127270559
Reduced:	ClN3O3C19H28 (1)
Stoich.:	AB3C3D19E28 (1)
Weight, g/mol:	396.19436
ΔH_f, kcal/mol:	-126.6
Dipole, Da:	4.91
IP(EA), eV:	-9.21(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-4-N-(1,3,4-thiadiazol-2-yl)piperidine-1,4-dicarboxamide

Drug info:

PubChemData

Smile

CC1(CN(CCO1)CCNC(=O)N2CCOC(C2)C3=CC=C(C=C3)Cl)C

DOS

IR

Vibrations