Geometry & MOs

Info

ID:	417713
PubChem CID:	135102536
Reduced:	O7N8C36H52 (1)
Stoich.:	A7B8C36D52 (1)
Weight, g/mol:	337.171165
ΔH_f, kcal/mol:	-300.08
Dipole, Da:	6.53
IP(EA), eV:	-9.23(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5R)-7-(4-propylphenyl)sulfonyl-7-azaspiro[4.5]decan-4-ol

Drug info:

PubChemData

Smile

CC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)NCCCC[C@@H](C(=O)N1)NC(=O)CCN3C(=CC(=N3)C)C)CC4=CC=CC=C4)[C@@H](C)O

DOS

IR

Vibrations