Geometry & MOs

Info

ID:	155285
PubChem CID:	56352871
Reduced:	O2N5C25H33 (1)
Stoich.:	A2B5C25D33 (1)
Weight, g/mol:	435.176268
ΔH_f, kcal/mol:	-31.22
Dipole, Da:	4.79
IP(EA), eV:	-8.41(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propan-1-one

Drug info:

PubChemData

Smile

CCN(CC1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)N=C(N3)CN4CCOCC4)C(C)C

DOS

IR

Vibrations