Geometry & MOs

Info

ID:

65359

PubChem CID:

29214788

Reduced:

ClSO2N4C19H29 (1)

Stoich.:

ABC2D4E19F29 (1)

Weight, g/mol:

420.180441

ΔHf, kcal/mol:

-73.1

Dipole, Da:

6.41

IP(EA), eV:

 -8.55(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-N-[(Z)-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methylideneamino]-5-[[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-1,2,4-triazole-3,4-diamine

Drug info:

PubChemData

Smile

CCCCNC(=S)N(C)NC(=O)[C@@H](CC(C)C)NC(=O)C1=CC=C(C=C1)Cl

DOS

IR

Vibrations