Geometry & MOs

Info

ID:	218242
PubChem CID:	85089077
Reduced:	NO6C25H31 (1)
Stoich.:	AB6C25D31 (1)
Weight, g/mol:	441.237604
ΔH_f, kcal/mol:	-136.55
Dipole, Da:	1.43
IP(EA), eV:	-9.78(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-N-[1-[[1-[(2-amino-2-oxoethyl)amino]-1-oxo-3-phenylpropan-2-yl]amino]propan-2-yl]-3-(4-hydroxyphenyl)propanamide

Drug info:

PubChemData

Smile

CCCCCCCC=CCC#CC#CC(C=C)OC(=O)CCC(=O)ON1C(=O)CCC1=O

DOS

IR

Vibrations