Geometry & MOs

Info

ID:	137725
PubChem CID:	52253421
Reduced:	SO2N3C19H23 (1)
Stoich.:	AB2C3D19E23 (1)
Weight, g/mol:	372.192331
ΔH_f, kcal/mol:	-39.6
Dipole, Da:	3.0
IP(EA), eV:	-9.17(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

diethyl-[2-[4-[(2-methyl-5-nitrophenyl)carbamoyl]phenoxy]ethyl]azanium

Drug info:

PubChemData

Smile

CC[C@@H](C1=CC=CC=C1)C(=O)N2CCC[C@H](C2)C(=O)NC3=NC=CS3

DOS

IR

Vibrations