Geometry & MOs

Info

ID:	135421
PubChem CID:	51869700
Reduced:	OSN5H25C26 (1)
Stoich.:	ABC5D25E26 (1)
Weight, g/mol:	443.242021
ΔH_f, kcal/mol:	94.26
Dipole, Da:	7.51
IP(EA), eV:	-8.49(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butyl 4-[[2-[(5S,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]benzoate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=CC=C(C=C1)N(C)C)SC2=NC(=C(N=N2)C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations