Geometry & MOs

Info

ID:	364393
PubChem CID:	127315570
Reduced:	SN3O4C18H31 (1)
Stoich.:	AB3C4D18E31 (1)
Weight, g/mol:	355.200825
ΔH_f, kcal/mol:	-185.83
Dipole, Da:	10.36
IP(EA), eV:	-9.2(0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-pyrrolidin-1-yl-2-[4-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-1,4-diazepan-1-yl]ethanone

Drug info:

PubChemData

Smile

CS(=O)(=O)C1(CCCC1)C(=O)N2CCCN(CC2)CC(=O)N3CCCC3

DOS

IR

Vibrations