Geometry & MOs

Info

ID:	39293
PubChem CID:	8140078
Reduced:	N2O2C20H27 (1)
Stoich.:	A2B2C20D27 (1)
Weight, g/mol:	360.138188
ΔH_f, kcal/mol:	-32.19
Dipole, Da:	2.18
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.992805
Charge, e:	1

Chem-info

IUPAC name:

dimethyl-[[2-[[[2-(4-nitrophenyl)sulfanylacetyl]amino]methyl]phenyl]methyl]azanium

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)OCCC(=O)NCC2=CC=CC=C2C[NH+](C)C

DOS

IR

Vibrations