Geometry & MOs

Info

ID:	155154
PubChem CID:	56320852
Reduced:	N4O6C19H20 (1)
Stoich.:	A4B6C19D20 (1)
Weight, g/mol:	467.199111
ΔH_f, kcal/mol:	-131.72
Dipole, Da:	2.9
IP(EA), eV:	-9.48(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-[3-[(3-hydroxybenzoyl)amino]propyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NCC(=O)NCCCNC(=O)C2=CC(=CC=C2)O

DOS

IR

Vibrations