Geometry & MOs

Info

ID:	339810
PubChem CID:	127261819
Reduced:	O3N4C13H26 (1)
Stoich.:	A3B4C13D26 (1)
Weight, g/mol:	351.154269
ΔH_f, kcal/mol:	-171.55
Dipole, Da:	5.37
IP(EA), eV:	-9.41(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-N-[(2S)-1-(N-[(2S)-1-amino-1-oxopropan-2-yl]-4-nitroanilino)-1-oxopropan-2-yl]propanamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N[C@@H](C)C(=O)N(CC(C)C)[C@@H](C)C(=O)N)N

DOS

IR

Vibrations