Geometry & MOs

Info

ID:	335015
PubChem CID:	127253821
Reduced:	N3O6C28H31 (1)
Stoich.:	A3B6C28D31 (1)
Weight, g/mol:	421.152537
ΔH_f, kcal/mol:	-172.07
Dipole, Da:	6.01
IP(EA), eV:	-8.87(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(furan-2-yl)propyl]-2-[2-(4-methoxyphenyl)-5-methyl-7-oxofuro[3,2-b]pyran-3-yl]acetamide

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H](C1=NC2=CC=CC=C2N1)NC(=O)CC(C3=CC(=C(C=C3)O)OC)C4=C(C(=O)C=C(O4)C)O

DOS

IR

Vibrations