Geometry & MOs

Info

ID:	432755
PubChem CID:	135172892
Reduced:	N2O5C22H26 (1)
Stoich.:	A2B5C22D26 (1)
Weight, g/mol:	394.148849
ΔH_f, kcal/mol:	-179.3
Dipole, Da:	5.66
IP(EA), eV:	-9.73(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-4-amino-4-oxo-2-[[(2S)-2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]propanoyl]amino]butanoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC(=O)CC[C@H](C(=O)OCC2=CC=CC=C2)NC(=O)CCN

DOS

IR

Vibrations