Geometry & MOs

Info

ID:	194413
PubChem CID:	78532047
Reduced:	ClNSO3H14C17 (1)
Stoich.:	ABCD3E14F17 (1)
Weight, g/mol:	405.994569
ΔH_f, kcal/mol:	-37.41
Dipole, Da:	5.14
IP(EA), eV:	-9.0(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(5-chloropyridin-2-yl)amino]-2-oxoethyl] 3-(3-chloro-1-benzothiophen-2-yl)prop-2-enoate

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)COC(=O)C=CC2=C(C3=CC=CC=C3S2)Cl

DOS

IR

Vibrations