Geometry & MOs

Info

ID:	338312
PubChem CID:	127259004
Reduced:	NPNa2O9C30H42 (1)
Stoich.:	ABC2D9E30F42 (1)
Weight, g/mol:	414.153934
ΔH_f, kcal/mol:	-583.31
Dipole, Da:	22.54
IP(EA), eV:	-7.96(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C(OC(=O)CC(=O)[O-])OP(=O)(CCCCC1=CC=CC=C1)CC(=O)N2C[C@@H](C[C@H]2C(=O)[O-])C3CCCCC3.[Na+].[Na+]

DOS

IR

Vibrations