Geometry & MOs

Info

ID:	186685
PubChem CID:	77467440
Reduced:	SN2O6C16H24 (1)
Stoich.:	AB2C6D16E24 (1)
Weight, g/mol:	464.32636
ΔH_f, kcal/mol:	-233.13
Dipole, Da:	4.54
IP(EA), eV:	-9.3(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-propan-2-yl-9-[2-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-1-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine-2-carboximidamide

Drug info:

PubChemData

Smile

CC(=O)OCC1C(C(C2C(O1)SC(=N2)NCCC3CC3)OC(=O)C)O

DOS

IR

Vibrations