Geometry & MOs

Info

ID:	447534
PubChem CID:	135283678
Reduced:	ClSO4N6C24H29 (1)
Stoich.:	ABC4D6E24F29 (1)
Weight, g/mol:	412.108437
ΔH_f, kcal/mol:	-93.38
Dipole, Da:	5.13
IP(EA), eV:	-8.86(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-[(3S,4R)-3-ethoxy-1-(5-formyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]-5-ethyl-1H-imidazole-2-carboxamide

Drug info:

PubChemData

Smile

CCC1=C(N=C(N1)C(=O)NC2CCN(CC2OC)C3=NN=C(S3)C(C)(C)OC(=O)C4=CC=CC=C4)Cl

DOS

IR

Vibrations