Geometry & MOs

Info

ID:	195395
PubChem CID:	78681949
Reduced:	N3O5C19H23 (1)
Stoich.:	A3B5C19D23 (1)
Weight, g/mol:	412.145678
ΔH_f, kcal/mol:	-187.17
Dipole, Da:	6.48
IP(EA), eV:	-9.49(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-2-oxoethyl] 2-acetamido-3-phenylprop-2-enoate

Drug info:

PubChemData

Smile

CC(=O)NC(=CC1=CC=CC=C1)C(=O)OCC(=O)N2CCCCC2C(=O)N

DOS

IR

Vibrations