Geometry & MOs

Info

ID:	339837
PubChem CID:	127261846
Reduced:	N2O2C7H12 (2)
Stoich.:	A2B2C7D12 (2)
Weight, g/mol:	347.184506
ΔH_f, kcal/mol:	-200.84
Dipole, Da:	3.37
IP(EA), eV:	-9.52(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-acetamido-N-[(2S)-1-amino-1-oxopropan-2-yl]-N-[(2S)-3-oxo-1-phenylbutan-2-yl]propanamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N1CCC[C@H]1C(=O)N(C)[C@@H](C)C(=O)N)NC(=O)C

DOS

IR

Vibrations