Geometry & MOs

Info

ID:	432896
PubChem CID:	135173033
Reduced:	NO2C7H11 (3)
Stoich.:	AB2C7D11 (3)
Weight, g/mol:	407.205636
ΔH_f, kcal/mol:	-288.27
Dipole, Da:	3.51
IP(EA), eV:	-9.76(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-4-methyl-2-[[2-[methyl-[2-(phenylmethoxycarbonylamino)propanoyl]amino]acetyl]amino]pentanoic acid

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N(C)[C@@H](C)C(=O)N[C@@H](CC(C)C)C(O)O)NC(=O)OCC1=CC=CC=C1

DOS

IR

Vibrations