Geometry & MOs

Info

ID:	235808
PubChem CID:	92710685
Reduced:	SN5O5C21H27 (1)
Stoich.:	AB5C5D21E27 (1)
Weight, g/mol:	377.188546
ΔH_f, kcal/mol:	-132.75
Dipole, Da:	4.13
IP(EA), eV:	-8.61(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-[(3S)-3-(azepane-1-carbonyl)piperidin-1-yl]-1,3,4-thiadiazol-2-yl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)CNC(=O)[C@H]2CCCN2C3=NN=C(S3)N4CCCC4=O

DOS

IR

Vibrations