Geometry & MOs

Info

ID:	182273
PubChem CID:	76869663
Reduced:	ClFO3N4H24C26 (1)
Stoich.:	ABC3D4E24F26 (1)
Weight, g/mol:	398.184172
ΔH_f, kcal/mol:	-96.32
Dipole, Da:	5.7
IP(EA), eV:	-8.78(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[4-[[furan-2-ylmethyl(oxolan-2-ylmethyl)carbamoyl]amino]phenyl]prop-2-enoate

Drug info:

PubChemData

Smile

CCC1(CCC(=O)NC1=O)C2=CC=C(C=C2)NC(=O)C=CC3=C(N(N=C3C)C4=CC=C(C=C4)F)Cl

DOS

IR

Vibrations