Geometry & MOs

Info

ID:	26173
PubChem CID:	640044
Reduced:	NSO2H11C13 (1)
Stoich.:	ABC2D11E13 (1)
Weight, g/mol:	486.280198
ΔH_f, kcal/mol:	-26.93
Dipole, Da:	4.52
IP(EA), eV:	-8.75(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S)-2-[[(2S,3S)-2-[[2-[[(2S)-4-amino-2-[[(2S)-2-aminopropanoyl]amino]-4-oxobutanoyl]amino]acetyl]amino]-3-methylpentanoyl]amino]-3-methylpentanoic acid

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C3=CC=CC=C3S1(=O)=O

DOS

IR

Vibrations