Geometry & MOs

Info

ID:	182400
PubChem CID:	76884437
Reduced:	ClOSN4C21H23 (1)
Stoich.:	ABCD4E21F23 (1)
Weight, g/mol:	275.115758
ΔH_f, kcal/mol:	42.07
Dipole, Da:	1.43
IP(EA), eV:	-8.55(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoylamino]acetate

Drug info:

PubChemData

Smile

CC1CCCN(C1)CC2=CC=C(C=C2)NC(=O)C=CC3=C(N=C4N3C=CS4)Cl

DOS

IR

Vibrations