Geometry & MOs

Info

ID:	39084
PubChem CID:	8139665
Reduced:	O3N4C23H30 (1)
Stoich.:	A3B4C23D30 (1)
Weight, g/mol:	401.069986
ΔH_f, kcal/mol:	-10.55
Dipole, Da:	9.13
IP(EA), eV:	-8.91(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[cyclopropyl-[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 2-(2-chlorophenoxy)acetate

Drug info:

PubChemData

Smile

CN(C)CC1=CC=CC=C1CNC(=O)C2=CC(=C(C=C2)N3CCCCCC3)[N+](=O)[O-]

DOS

IR

Vibrations