Geometry & MOs

Info

ID:	184889
PubChem CID:	77224473
Reduced:	SN3O8C31H45 (1)
Stoich.:	AB3C8D31E45 (1)
Weight, g/mol:	460.144823
ΔH_f, kcal/mol:	-327.72
Dipole, Da:	10.7
IP(EA), eV:	-9.2(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(3,4-dimethoxyphenyl)-3-[[5-(3-methyl-2H-indazol-5-yl)-1,3,4-thiadiazol-2-yl]amino]propan-2-yl]azanium;chloride

Drug info:

PubChemData

Smile

CC(C)(CCCN)CN(CC(C(CC1=CC=CC=C1)NC(=O)OC2COC3C2CCO3)O)S(=O)(=O)C4=CC=C(C=C4)OC

DOS

IR

Vibrations