Geometry & MOs

Info

ID:	140794
PubChem CID:	52761246
Reduced:	SN3O5C21H31 (1)
Stoich.:	AB3C5D21E31 (1)
Weight, g/mol:	275.152144
ΔH_f, kcal/mol:	-230.19
Dipole, Da:	8.07
IP(EA), eV:	-8.85(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(3-methylanilino)-1-oxopropan-2-yl] (Z)-2-methylpent-2-enoate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC[C@@H]1CCCN(C1)C(=O)C2=CC3=C(C=C2)N(CC3)S(=O)(=O)C

DOS

IR

Vibrations