Geometry & MOs

Info

ID:	31881
PubChem CID:	3722556
Reduced:	FSN4O4C25H25 (1)
Stoich.:	ABC4D4E25F25 (1)
Weight, g/mol:	399.104148
ΔH_f, kcal/mol:	-113.28
Dipole, Da:	3.54
IP(EA), eV:	-9.23(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]-N-naphthalen-1-ylacetamide

Drug info:

PubChemData

Smile

C1CN(CCC1C2=NC(=CS2)C(=O)NNC(=O)COC3=CC=CC=C3)C(=O)CC4=CC=C(C=C4)F

DOS

IR

Vibrations