Geometry & MOs

Info

ID:	79577
PubChem CID:	49829586
Reduced:	SO4N5C21H27 (1)
Stoich.:	AB4C5D21E27 (1)
Weight, g/mol:	448.244761
ΔH_f, kcal/mol:	-96.81
Dipole, Da:	1.1
IP(EA), eV:	-9.04(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

2-[[2-[(2-acetamido-4-methylpentanoyl)amino]-4-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoate

Drug info:

PubChemData

Smile

CCOCCCN1C(=O)C2=CC=CC=C2N3C1=NN=C3SCC(=O)N4CCOC(C4)C

DOS

IR

Vibrations