Geometry & MOs

Info

ID:	218606
PubChem CID:	85089677
Reduced:	N3O6C26H33 (1)
Stoich.:	A3B6C26D33 (1)
Weight, g/mol:	483.248169
ΔH_f, kcal/mol:	-243.56
Dipole, Da:	1.42
IP(EA), eV:	-9.3(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[[2-acetamido-3-(4-hydroxyphenyl)propyl]amino]propanoylamino]-N-(2-amino-2-oxoethyl)-3-phenylpropanamide

Drug info:

PubChemData

Smile

CCC(CC1=CC=CC=C1)(C(=O)NC(C)C(=O)NC(C)C(=O)OC)NC(=O)OCC2=CC=CC=C2

DOS

IR

Vibrations