Geometry & MOs

Info

ID:	235824
PubChem CID:	92710735
Reduced:	SO3N6C19H26 (1)
Stoich.:	AB3C6D19E26 (1)
Weight, g/mol:	438.183795
ΔH_f, kcal/mol:	-53.39
Dipole, Da:	5.53
IP(EA), eV:	-8.49(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-N-[2-(1H-indol-3-yl)ethyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)CCNC(=O)[C@H]2CCCN(C2)C3=NN=C(S3)N4CCCC4=O

DOS

IR

Vibrations