Geometry & MOs

Info

ID:	135663
PubChem CID:	51912176
Reduced:	OSN6C25H32 (1)
Stoich.:	ABC6D25E32 (1)
Weight, g/mol:	490.251481
ΔH_f, kcal/mol:	43.74
Dipole, Da:	6.62
IP(EA), eV:	-7.85(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[[4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-piperidin-1-ylphenyl)propanamide

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=CC=C(C=C1)N(C)C)SC2=NN=C(N2CC3=CC=CC=C3)CN4CCCC4

DOS

IR

Vibrations