Geometry & MOs

Info

ID:	245147
PubChem CID:	99437700
Reduced:	SO2N8C17H20 (1)
Stoich.:	AB2C8D17E20 (1)
Weight, g/mol:	433.200156
ΔH_f, kcal/mol:	62.51
Dipole, Da:	5.2
IP(EA), eV:	-9.23(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-[[4-[[2-(7-methyl-2-oxochromen-4-yl)acetyl]amino]phenyl]methyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

C[C@H](C(=O)N(C)CC(=O)NC1=CC(=CC=C1)N2C(=NN=N2)SC)N3C=CC=N3

DOS

IR

Vibrations