Geometry & MOs

Info

ID:	305557
PubChem CID:	124959947
Reduced:	SN3C15H19 (1)
Stoich.:	AB3C15D19 (1)
Weight, g/mol:	394.236876
ΔH_f, kcal/mol:	58.02
Dipole, Da:	3.12
IP(EA), eV:	-9.0(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(6R)-4-(cyclohexanecarbonyl)-6-(1,5-naphthyridin-4-ylmethyl)-1,4-diazepan-1-yl]ethanone

Drug info:

PubChemData

Smile

C1C[C@@H](N(C1)CC2=CN=CS2)CCC3=CC=NC=C3

DOS

IR

Vibrations