Geometry & MOs

Info

ID:	340609
PubChem CID:	127262620
Reduced:	BrNSO3H6C9 (1)
Stoich.:	ABCD3E6F9 (1)
Weight, g/mol:	502.191108
ΔH_f, kcal/mol:	-92.41
Dipole, Da:	7.43
IP(EA), eV:	-9.06(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-5-[[(2S)-2-[acetyl-[(2S)-1-carboxy-3-oxopropan-2-yl]amino]-3-methylbutanoyl]amino]-4-[[(2S)-2-amino-3-carboxypropanoyl]amino]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

C1=CC(=C2C(=C1C(=O)CBr)SC(=O)N2)O

DOS

IR

Vibrations