Geometry & MOs

Info

ID:	415595
PubChem CID:	135088593
Reduced:	O2N3C22H29 (1)
Stoich.:	A2B3C22D29 (1)
Weight, g/mol:	389.140927
ΔH_f, kcal/mol:	-57.41
Dipole, Da:	3.28
IP(EA), eV:	-8.78(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-methoxypyridin-4-yl)-[4-[5-(methylsulfanylmethyl)furan-2-carbonyl]-1,4-diazepan-1-yl]methanone

Drug info:

PubChemData

Smile

CN(CC(=O)N1C[C@H]([C@H](C1)O)CC2=CC=NC3=CC=CC=C23)C4CCCC4

DOS

IR

Vibrations