Geometry & MOs

Info

ID:	131225
PubChem CID:	51177458
Reduced:	ClN2O2S2C16H17 (1)
Stoich.:	AB2C2D2E16F17 (1)
Weight, g/mol:	392.096141
ΔH_f, kcal/mol:	-23.37
Dipole, Da:	1.11
IP(EA), eV:	-9.33(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-chlorothiophen-2-yl)methyl]-2-[(2-phenoxyacetyl)amino]-N-prop-2-enylpropanamide

Drug info:

PubChemData

Smile

CC1=CC=C(S1)C(=O)NCC(=O)N(CC=C)CC2=CC=C(S2)Cl

DOS

IR

Vibrations