Geometry & MOs

Info

ID:	315030
PubChem CID:	126624239
Reduced:	N3S3O4C17H18 (1)
Stoich.:	A3B3C4D17E18 (1)
Weight, g/mol:	173.120449
ΔH_f, kcal/mol:	-86.64
Dipole, Da:	7.15
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.027343
Charge, e:	0

Chem-info

IUPAC name:

N-[(3E,5Z)-5-ethenylhepta-1,3,5-trien-4-yl]prop-2-en-1-imine

Drug info:

PubChemData

Smile

CC(C1NC(=C(CS1)SC2=NC(=CS2)C3=CC=[N+](C=C3)C)C(=O)O)C(=O)O

DOS

IR

Vibrations