Geometry & MOs

Info

ID:	235806
PubChem CID:	92710678
Reduced:	NOC12H14 (2)
Stoich.:	ABC12D14 (2)
Weight, g/mol:	471.168873
ΔH_f, kcal/mol:	-47.77
Dipole, Da:	8.51
IP(EA), eV:	-8.69(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-[(2R)-2-[4-(4-nitrophenyl)piperazine-1-carbonyl]pyrrolidin-1-yl]-1,3,4-thiadiazol-2-yl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

CC1=C(C(=C(N1C2=CC=CC=C2)C)C(=O)O)CN[C@@H](C)CCC3=CC=CC=C3

DOS

IR

Vibrations