Geometry & MOs

Info

ID:	356521
PubChem CID:	127291668
Reduced:	ON5C22H35 (1)
Stoich.:	AB5C22D35 (1)
Weight, g/mol:	383.177982
ΔH_f, kcal/mol:	-10.71
Dipole, Da:	5.57
IP(EA), eV:	-9.4(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanone

Drug info:

PubChemData

Smile

C1CCC(CC1)N(C2CCCCC2)C(=O)CN3CCN4C(=NN=C4C5CC5)C3

DOS

IR

Vibrations