Geometry & MOs

Info

ID:	358866
PubChem CID:	127296737
Reduced:	OSN5C20H27 (1)
Stoich.:	ABC5D20E27 (1)
Weight, g/mol:	385.193632
ΔH_f, kcal/mol:	15.98
Dipole, Da:	4.56
IP(EA), eV:	-8.82(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-pyrrolidin-1-ylpiperidine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CC2=NN=C(S2)NC(=O)N3CCCC3CN4CCCC4

DOS

IR

Vibrations