Geometry & MOs

Info

ID:	226247
PubChem CID:	87350224
Reduced:	ClOC16H17 (1)
Stoich.:	ABC16D17 (1)
Weight, g/mol:	402.186297
ΔH_f, kcal/mol:	7.55
Dipole, Da:	4.88
IP(EA), eV:	-9.84(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-amino-4-[[(2S)-1-[[(2S)-4-amino-1-[(2-amino-2-oxoethyl)amino]-1,4-dioxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-oxobutanoic acid

Drug info:

PubChemData

Smile

C=CCC1=C(C(=C(C=C1)C(=O)Cl)CC=C)CC=C

DOS

IR

Vibrations