Geometry & MOs

Info

ID:	194551
PubChem CID:	78554438
Reduced:	SN2O4H20C21 (1)
Stoich.:	AB2C4D20E21 (1)
Weight, g/mol:	291.147058
ΔH_f, kcal/mol:	-76.45
Dipole, Da:	4.63
IP(EA), eV:	-8.52(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 3-(furan-2-yl)prop-2-enoate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1C)C2=CSC(=N2)NC(=O)COC(=O)C=CC3=CC=CO3)C

DOS

IR

Vibrations