Geometry & MOs

Info

ID:	222475
PubChem CID:	85300842
Reduced:	ON5C19H23 (1)
Stoich.:	AB5C19D23 (1)
Weight, g/mol:	337.134779
ΔH_f, kcal/mol:	24.44
Dipole, Da:	2.86
IP(EA), eV:	-8.61(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-[[2-(ethylsulfinylmethyl)benzoyl]-methylamino]pent-2-enoate

Drug info:

PubChemData

Smile

CCCNC1=C2C(=NC=N1)N(C=N2)CC3CC(C4=CC=CC=C34)CO

DOS

IR

Vibrations