Geometry & MOs

Info

ID:	217057
PubChem CID:	85087173
Reduced:	ON3H17C21 (1)
Stoich.:	AB3C17D21 (1)
Weight, g/mol:	327.1293
ΔH_f, kcal/mol:	90.83
Dipole, Da:	2.91
IP(EA), eV:	-8.43(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[4-[4-(dimethylamino)phenyl]sulfanylphenyl]prop-2-enoate

Drug info:

PubChemData

Smile

CC(=NO)C1=CC=C(C=C1)NC2=C3C=CC=CC3=NC4=CC=CC=C42

DOS

IR

Vibrations