Geometry & MOs

Info

ID:	54108
PubChem CID:	14720187
Reduced:	N3O8C22H25 (1)
Stoich.:	A3B8C22D25 (1)
Weight, g/mol:	473.179815
ΔH_f, kcal/mol:	-237.55
Dipole, Da:	6.75
IP(EA), eV:	-9.75(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S)-2-[(4-nitrophenyl)methoxycarbonylamino]-6-(phenylmethoxycarbonylamino)hexanoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC(=O)NCCCC[C@@H](C(=O)O)NC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations