Geometry & MOs

Info

ID:	44526
PubChem CID:	10503898
Reduced:	N2O6C25H30 (1)
Stoich.:	A2B6C25D30 (1)
Weight, g/mol:	454.22162
ΔH_f, kcal/mol:	-225.7
Dipole, Da:	0.56
IP(EA), eV:	-9.74(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl (2S)-2-[[(2S)-2-acetyloxy-5-(diaminomethylideneamino)pentanoyl]amino]-3-phenylpropanoate

Drug info:

PubChemData

Smile

C[C@@H]1[C@@H](CO[C@@H](O1)C[C@H]2OCC([C@@H](O2)C)NC(=O)C3=CC=CC=C3)NC(=O)C4=CC=CC=C4

DOS

IR

Vibrations