Geometry & MOs

Info

ID:	195877
PubChem CID:	78745172
Reduced:	SN3O3C20H36 (1)
Stoich.:	AB3C3D20E36 (1)
Weight, g/mol:	357.139865
ΔH_f, kcal/mol:	-129.89
Dipole, Da:	9.89
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.859719
Charge, e:	0

Chem-info

IUPAC name:

[1-(2-methyl-6-propan-2-ylanilino)-1-oxopropan-2-yl] 3-thiophen-2-ylprop-2-enoate

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(C)[NH2+]CC(=O)N(C(C)C)C(C)C

DOS

IR

Vibrations