Geometry & MOs

Info

ID:	416873
PubChem CID:	135090627
Reduced:	N7O7C40H47 (1)
Stoich.:	A7B7C40D47 (1)
Weight, g/mol:	369.124609
ΔH_f, kcal/mol:	-147.27
Dipole, Da:	6.55
IP(EA), eV:	-8.64(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-5-[[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]sulfonyl]benzoic acid

Drug info:

PubChemData

Smile

CC(C)[C@@H]1C(=O)NCCCC2=CC(=C(C=C2)OC)OCC(=O)NCCC[C@@H](C(=O)N[C@H](C(=O)N1)CC3=CC=CC=C3)NC(=O)C4=CC5=NC=CN=C5C=C4

DOS

IR

Vibrations