Geometry & MOs

Info

ID:	184516
PubChem CID:	77171930
Reduced:	BrN2O4C15H21 (1)
Stoich.:	AB2C4D15E21 (1)
Weight, g/mol:	546.251206
ΔH_f, kcal/mol:	-190.65
Dipole, Da:	6.08
IP(EA), eV:	-8.92(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclohexyl-8-[2-[1-(2,3,4-trihydroxybutyl)indol-4-yl]ethylsulfonyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)NC(=O)C(CO)NC(=O)OC(C)(C)C)Br

DOS

IR

Vibrations