Geometry & MOs

Info

ID:	84121
PubChem CID:	49864321
Reduced:	ION6C18H19 (1)
Stoich.:	ABC6D18E19 (1)
Weight, g/mol:	438.211449
ΔH_f, kcal/mol:	110.9
Dipole, Da:	6.13
IP(EA), eV:	-8.43(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxypropanoyl]amino]-6-aminohexanoic acid

Drug info:

PubChemData

Smile

CC(C)CC1=NN(C(=O)C2=CN(C=C21)CC3=CC(=C(C=C3)N=[N+]=[N-])[125I])C

DOS

IR

Vibrations