Geometry & MOs

Info

ID:	243045
PubChem CID:	99215257
Reduced:	ClSN2O3H19C22 (1)
Stoich.:	ABC2D3E19F22 (1)
Weight, g/mol:	410.085577
ΔH_f, kcal/mol:	-51.13
Dipole, Da:	4.85
IP(EA), eV:	-9.07(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-3-(4-acetamidophenyl)-N-[(S)-(4-chlorophenyl)-thiophen-3-ylmethyl]prop-2-enamide

Drug info:

PubChemData

Smile

C1COC2=CC=CC=C2N(C1=O)CC(=O)N[C@H](C3=CC=C(C=C3)Cl)C4=CSC=C4

DOS

IR

Vibrations