Geometry & MOs

Info

ID:	173893
PubChem CID:	75694356
Reduced:	ClNSO8C22H23 (1)
Stoich.:	ABCD8E22F23 (1)
Weight, g/mol:	496.160756
ΔH_f, kcal/mol:	-268.95
Dipole, Da:	4.62
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752626
Charge, e:	-1

Chem-info

IUPAC name:

2-[[7-acetamido-2-(furan-2-yl)-6-naphthalen-1-yloxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]propanoate

Drug info:

PubChemData

Smile

CC(C(=O)[O-])OC1C(C(OC2C1OC(OC2)C3=CC=CO3)SC4=CC=C(C=C4)Cl)NC(=O)C

DOS

IR

Vibrations