Geometry & MOs

Info

ID:	224031
PubChem CID:	85337147
Reduced:	N4O5C25H36 (1)
Stoich.:	A4B5C25D36 (1)
Weight, g/mol:	473.206304
ΔH_f, kcal/mol:	-152.57
Dipole, Da:	6.35
IP(EA), eV:	-9.93(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[5-[4-methoxyimino-1-(4-phenylbenzoyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

CC1CCC23CCC(=O)C2C1(C(CC(C(C3C)O)(C)C=C)OC(=O)C4C=NC(=NC4=O)NN)C

DOS

IR

Vibrations