Geometry & MOs

Info

ID:	414976
PubChem CID:	135087956
Reduced:	O3N4C17H22 (1)
Stoich.:	A3B4C17D22 (1)
Weight, g/mol:	364.102768
ΔH_f, kcal/mol:	-39.0
Dipole, Da:	6.43
IP(EA), eV:	-9.44(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(3-hydroxy-3-phenylpyrrolidin-1-yl)acetamide

Drug info:

PubChemData

Smile

CC1=CC(=NO1)NC(=O)CN(CC2CCCO2)CC3=CC=CC=N3

DOS

IR

Vibrations