Geometry & MOs

Info

ID:	436476
PubChem CID:	135203510
Reduced:	SN3O3H17C19 (1)
Stoich.:	AB3C3D17E19 (1)
Weight, g/mol:	411.147744
ΔH_f, kcal/mol:	-2.06
Dipole, Da:	7.31
IP(EA), eV:	-9.09(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxy-2-phenyl-N-[5-[[(3R)-1-pyridazin-3-ylpyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)C2=C(C=CC3=C2N(C(=O)C=C3)CC4=NC=CS4)OC

DOS

IR

Vibrations