Geometry & MOs

Info

ID:	220381
PubChem CID:	85182290
Reduced:	N2O5H26C28 (1)
Stoich.:	A2B5C26D28 (1)
Weight, g/mol:	470.216535
ΔH_f, kcal/mol:	-113.51
Dipole, Da:	5.58
IP(EA), eV:	-8.4(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2-hydroxyethylamino)-2-oxoethyl]-2-[[2-[3-(4-hydroxyphenyl)propanoylamino]acetyl]amino]-3-phenylpropanamide

Drug info:

PubChemData

Smile

CC1=C(C2=C(N1CC3=CC=CC=C3)C=CC=C2OC(C)C(=O)OCC4=CC=CC=C4)C(=O)C(=O)N

DOS

IR

Vibrations