Geometry & MOs

Info

ID:	121011
PubChem CID:	50753240
Reduced:	SO2N5C25H31 (1)
Stoich.:	AB2C5D25E31 (1)
Weight, g/mol:	355.178358
ΔH_f, kcal/mol:	-33.81
Dipole, Da:	6.74
IP(EA), eV:	-8.8(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butyl-3-(3,5,9-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)propanamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)NC3=CC(=NC(=N3)C)NC4CCCCC4

DOS

IR

Vibrations