Geometry & MOs

Info

ID:	318173
PubChem CID:	126649389
Reduced:	ClF2N2O3C27H27 (1)
Stoich.:	AB2C2D3E27F27 (1)
Weight, g/mol:	500.131441
ΔH_f, kcal/mol:	-180.51
Dipole, Da:	8.07
IP(EA), eV:	-9.18(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[4-[2-[4-[(4-chlorophenyl)-methylcarbamoyl]anilino]-2-oxoethyl]phenyl]-2,2-difluoroacetate

Drug info:

PubChemData

Smile

C[C@H](C1=CC=C(C=C1)Cl)N(C)C(=O)C2=CC=C(C=C2)NC(=O)CC3=CC=C(C=C3)C(COC)(F)F

DOS

IR

Vibrations