Geometry & MOs

Info

ID:	135350
PubChem CID:	51857593
Reduced:	N3O3C15H23 (1)
Stoich.:	A3B3C15D23 (1)
Weight, g/mol:	458.247738
ΔH_f, kcal/mol:	-118.42
Dipole, Da:	5.96
IP(EA), eV:	-9.35(0.6)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

diethyl-[[4-[[3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanoylamino]methyl]phenyl]methyl]azanium

Drug info:

PubChemData

Smile

CC1=C(C=NN1C)CN(C)C(=O)[C@H]2CCCC[C@@H]2C(=O)O

DOS

IR

Vibrations