Geometry & MOs

Info

ID:	339849
PubChem CID:	127261858
Reduced:	N2O5C18H26 (1)
Stoich.:	A2B5C18D26 (1)
Weight, g/mol:	498.233916
ΔH_f, kcal/mol:	-219.0
Dipole, Da:	2.15
IP(EA), eV:	-9.69(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(N-[2-[[(2R)-2-amino-3-phenylpropanoyl]amino]acetyl]-4-nitroanilino)-5-(diaminomethylideneamino)pentanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations