Geometry & MOs

Info

ID:	35911
PubChem CID:	7980481
Reduced:	N2O5H16C17 (1)
Stoich.:	A2B5C16D17 (1)
Weight, g/mol:	400.145678
ΔH_f, kcal/mol:	-90.8
Dipole, Da:	3.87
IP(EA), eV:	-9.57(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 2-[[2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzoyl]amino]acetate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC(=O)CNC(=O)CC2=CC=CC=C2[N+](=O)[O-]

DOS

IR

Vibrations