Geometry & MOs

Info

ID:	340039
PubChem CID:	127262048
Reduced:	PN4O6C13H25 (1)
Stoich.:	AB4C6D13E25 (1)
Weight, g/mol:	408.213772
ΔH_f, kcal/mol:	-319.35
Dipole, Da:	7.01
IP(EA), eV:	-9.75(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S)-1-[[(2S)-1-amino-1-oxopropan-2-yl]-[(2S)-2-[[2-(hexylamino)acetyl]amino]propanoyl]amino]ethyl]phosphonic acid

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N([C@@H](C)C(=O)N)[C@H](C)P(=O)(O)O)NC(=O)CNC1CC1

DOS

IR

Vibrations