Geometry & MOs

Info

ID:	61943
PubChem CID:	26716068
Reduced:	SN3O5C24H29 (1)
Stoich.:	AB3C5D24E29 (1)
Weight, g/mol:	387.160121
ΔH_f, kcal/mol:	-135.95
Dipole, Da:	6.27
IP(EA), eV:	-8.98(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(3-chloro-5-methoxy-4-propan-2-yloxyphenyl)-N-methyl-N-[(1S)-1-phenylethyl]prop-2-enamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CC(=O)NNC(=O)/C=C/C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

DOS

IR

Vibrations