Geometry & MOs

Info

ID:	165941
PubChem CID:	74617751
Reduced:	SN3O5C24H25 (1)
Stoich.:	AB3C5D24E25 (1)
Weight, g/mol:	366.194343
ΔH_f, kcal/mol:	-111.02
Dipole, Da:	7.91
IP(EA), eV:	-8.64(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(tert-butylamino)-2-oxoethyl]-3-(4-phenylmethoxyphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)C(=O)NNC(=O)C(CC2=CC=CC=C2)NC(=O)C3=CC=CS3)OC

DOS

IR

Vibrations