Geometry & MOs

Info

ID:	64604
PubChem CID:	29203206
Reduced:	SO3N5H25C27 (1)
Stoich.:	AB3C5D25E27 (1)
Weight, g/mol:	337.142641
ΔH_f, kcal/mol:	2.98
Dipole, Da:	2.49
IP(EA), eV:	-8.85(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-2-acetamido-N-(3-acetamidophenyl)-3-phenylprop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NC(=O)[C@@H](C)SC2=NN=C3N2C4=CC=CC=C4C(=O)N3CC5=CC=CC=C5OC

DOS

IR

Vibrations