Geometry & MOs

Info

ID:	346246
PubChem CID:	127270750
Reduced:	O3N4C21H28 (1)
Stoich.:	A3B4C21D28 (1)
Weight, g/mol:	387.161663
ΔH_f, kcal/mol:	-110.96
Dipole, Da:	6.56
IP(EA), eV:	-8.69(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-1-oxopropan-2-yl]-1,3-diazaspiro[4.4]nonane-2,4-dione

Drug info:

PubChemData

Smile

CC(C(=O)N1CCN(CC1C2=CC=CC=C2)C)N3C(=O)C4(CCCC4)NC3=O

DOS

IR

Vibrations