Geometry & MOs

Info

ID:	340079
PubChem CID:	127262088
Reduced:	O4N6C21H32 (1)
Stoich.:	A4B6C21D32 (1)
Weight, g/mol:	335.132865
ΔH_f, kcal/mol:	-149.04
Dipole, Da:	6.23
IP(EA), eV:	-9.06(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[(3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]-4-amino-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CN[C@H](CC1=CC=CC=C1)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)O

DOS

IR

Vibrations