Geometry & MOs

Info

ID:	173783
PubChem CID:	75682433
Reduced:	ON4C20H36 (1)
Stoich.:	AB4C20D36 (1)
Weight, g/mol:	433.160617
ΔH_f, kcal/mol:	92.42
Dipole, Da:	3.12
IP(EA), eV:	-2.77(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[1-(1,1-dioxothiolan-3-yl)-3,5-dimethylpyrazol-4-yl]methylideneamino]-3-(4-propan-2-ylphenyl)thiourea

Drug info:

PubChemData

Smile

C[NH+]1CCN(CC1)CC2=C(C=CC(=C2)CN(C)CC3CC[NH+](C3)C)O

DOS

IR

Vibrations