Geometry & MOs

Info

ID:	185534
PubChem CID:	77311213
Reduced:	BrN2O2C7H11 (1)
Stoich.:	AB2C2D7E11 (1)
Weight, g/mol:	569.267191
ΔH_f, kcal/mol:	-108.2
Dipole, Da:	2.13
IP(EA), eV:	-10.52(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[4-[9-[(2-methylthiophen-3-yl)carbamoyl]-2,5-dioxo-1-propyl-1,4,9-triazaspiro[5.5]undecan-3-yl]butyl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C1CNC(=O)NC1=O)Br

DOS

IR

Vibrations