Geometry & MOs

Info

ID:	380543
PubChem CID:	134971024
Reduced:	N2O7C15H18 (1)
Stoich.:	A2B7C15D18 (1)
Weight, g/mol:	479.226765
ΔH_f, kcal/mol:	-290.48
Dipole, Da:	5.54
IP(EA), eV:	-10.06(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[(4S)-5-[[(1S)-1-carboxy-2-methylpropyl]amino]-5-oxo-4-(phenylmethoxycarbonylamino)pentanoyl]amino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations