Geometry & MOs

Info

ID:	307091
PubChem CID:	125267550
Reduced:	N4O4H26C31 (1)
Stoich.:	A4B4C26D31 (1)
Weight, g/mol:	355.072369
ΔH_f, kcal/mol:	-70.56
Dipole, Da:	5.52
IP(EA), eV:	-9.25(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-[(3-chlorophenyl)methoxy]-4-oxo-N-pyridin-3-yl-3H-pyridine-6-carboxamide

Drug info:

PubChemData

Smile

CC(C)[C@H]1[C@@H]2[C@@H](C(=O)N(C2=O)C3=CC=C(C=C3)C(=O)C)[C@]4(N1)C5=CC=CC=C5N6C4=NC7=CC=CC=C7C6=O

DOS

IR

Vibrations