Geometry & MOs

Info

ID:	216700
PubChem CID:	85086635
Reduced:	NO3C17H27 (1)
Stoich.:	AB3C17D27 (1)
Weight, g/mol:	293.14495
ΔH_f, kcal/mol:	-177.73
Dipole, Da:	5.86
IP(EA), eV:	-9.4(0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[4-(dimethylamino)phenyl]sulfanyl-2-methylpent-2-enoate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1C2CCC3CCCC(=O)C3C1CC2

DOS

IR

Vibrations