Geometry & MOs

Info

ID:	224068
PubChem CID:	85337773
Reduced:	O4C35H58 (1)
Stoich.:	A4B35C58 (1)
Weight, g/mol:	543.182792
ΔH_f, kcal/mol:	-280.13
Dipole, Da:	3.98
IP(EA), eV:	-9.32(0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxy-2-naphthalen-2-ylethyl)-4-methoxyimino-1-(4-phenylphenyl)sulfonylpyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)CCCCC(=O)O)C)C)C(C)C

DOS

IR

Vibrations