Geometry & MOs

Info

ID:	39234
PubChem CID:	8139959
Reduced:	SO2N5C21H23 (1)
Stoich.:	AB2C5D21E23 (1)
Weight, g/mol:	340.202502
ΔH_f, kcal/mol:	39.17
Dipole, Da:	3.39
IP(EA), eV:	-8.94(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

dimethyl-[[2-[[[2-[(3-methylbenzoyl)amino]acetyl]amino]methyl]phenyl]methyl]azanium

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC)N2C(=NN=N2)S[C@@H](C3=CC=CC=C3)C(=O)N4CCCC4

DOS

IR

Vibrations