Geometry & MOs

Info

ID:	160227
PubChem CID:	57309573
Reduced:	NO3C19H30 (1)
Stoich.:	AB3C19D30 (1)
Weight, g/mol:	371.07959
ΔH_f, kcal/mol:	-149.36
Dipole, Da:	9.36
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.758617
Charge, e:	0

Chem-info

IUPAC name:

(1-methylsulfanylethenylamino) N-methyl-N-[(2-methyl-1-phenylsulfanylprop-1-enyl)amino]sulfanylcarbamate

Drug info:

PubChemData

Smile

C[C@@H]1CCCC[N+]1(CC(=O)C23CC4CC(C2)CC(C4)C3)C(=O)O

DOS

IR

Vibrations