Geometry & MOs

Info

ID:	299922
PubChem CID:	117947984
Reduced:	NF2O9C28H37 (1)
Stoich.:	AB2C9D28E37 (1)
Weight, g/mol:	470.184172
ΔH_f, kcal/mol:	-463.83
Dipole, Da:	4.57
IP(EA), eV:	-9.06(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[1-(4-methoxyphenyl)propan-2-yl]-N-[4-(4-prop-2-ynoxybenzoyl)phenyl]oxamide

Drug info:

PubChemData

Smile

CCC[C@H]([C@H]([C@H](CO[C@@H]1C([C@H]([C@@H](C(O1)CF)O)O)O)NC(=O)CCC2=CC=C(C=C2)OC3=CC=C(C=C3)F)O)O

DOS

IR

Vibrations