Geometry & MOs

Info

ID:	320900
PubChem CID:	126664221
Reduced:	O2S2N3C16H21 (1)
Stoich.:	A2B2C3D16E21 (1)
Weight, g/mol:	378.08042
ΔH_f, kcal/mol:	-50.66
Dipole, Da:	6.12
IP(EA), eV:	-8.76(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-tert-butylcyclopentyl) 2-(2,4-diazabicyclo[1.1.0]butan-1-yl)-2-iodopropanoate

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)CO)C2=CSC(=N2)NC(=O)CC3CCCCC3

DOS

IR

Vibrations