Geometry & MOs

Info

ID:	170083
PubChem CID:	75194289
Reduced:	ON3C19H19 (1)
Stoich.:	AB3C19D19 (1)
Weight, g/mol:	382.156243
ΔH_f, kcal/mol:	49.61
Dipole, Da:	3.16
IP(EA), eV:	-9.02(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[3-[4-(diethylsulfamoyl)phenyl]prop-2-enoylamino]-2-methylpropanoate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC=C2C=CC(=O)NCCCN3C=CC=N3

DOS

IR

Vibrations