Geometry & MOs

Info

ID:	89501
PubChem CID:	49962127
Reduced:	OSN5C18H19 (1)
Stoich.:	ABC5D18E19 (1)
Weight, g/mol:	399.100125
ΔH_f, kcal/mol:	67.12
Dipole, Da:	5.58
IP(EA), eV:	-9.02(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(6-amino-1-carbamothioyl-5-cyano-3-methyl-4H-pyrano[2,3-c]pyrazol-4-yl)-2-methoxyphenyl] acetate

Drug info:

PubChemData

Smile

CC1=NN(C2=C1C(C(=C(O2)N)C#N)C3=CC=C(C=C3)C(C)C)C(=S)N

DOS

IR

Vibrations