Geometry & MOs

Info

ID:	65417
PubChem CID:	29214888
Reduced:	SO2N3C16H25 (1)
Stoich.:	AB2C3D16E25 (1)
Weight, g/mol:	350.200114
ΔH_f, kcal/mol:	-51.34
Dipole, Da:	3.26
IP(EA), eV:	-8.49(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(2R)-butan-2-yl]sulfanyl-3-N-[(Z)-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methylideneamino]-1,2,4-triazole-3,4-diamine

Drug info:

PubChemData

Smile

CCCCNC(=S)N(C)NC(=O)[C@H](CC)OC1=CC=CC=C1

DOS

IR

Vibrations