Geometry & MOs

Info

ID:	33517
PubChem CID:	7886801
Reduced:	O2S2N4C15H18 (1)
Stoich.:	A2B2C4D15E18 (1)
Weight, g/mol:	379.141973
ΔH_f, kcal/mol:	-50.11
Dipole, Da:	0.91
IP(EA), eV:	-8.71(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[4-[2-(2-oxochromen-7-yl)oxyacetyl]phenyl]propyl]acetamide

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)NC(=O)N)SC1=NC=NC2=C1C3=C(S2)CCC3

DOS

IR

Vibrations