Geometry & MOs

Info

ID:	35374
PubChem CID:	7979780
Reduced:	SN2O3C21H26 (1)
Stoich.:	AB2C3D21E26 (1)
Weight, g/mol:	392.077514
ΔH_f, kcal/mol:	-90.01
Dipole, Da:	6.29
IP(EA), eV:	-9.28(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propyl 4-[[2-(4-chloro-2-nitrophenoxy)acetyl]amino]benzoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C[C@H](C)C3=CC=CC=C3

DOS

IR

Vibrations