Geometry & MOs

Info

ID:	425967
PubChem CID:	135133783
Reduced:	OF2N3C12H13 (1)
Stoich.:	AB2C3D12E13 (1)
Weight, g/mol:	433.120462
ΔH_f, kcal/mol:	-90.73
Dipole, Da:	4.71
IP(EA), eV:	-8.9(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[[(Z)-3-amino-4-(2-fluoroanilino)but-3-enoyl]amino]-3-(4-chlorophenyl)-3-oxopropanoate

Drug info:

PubChemData

Smile

CCC(=O)/C(=C/N)/C(=NC1=C(C=C(C=C1)F)F)N

DOS

IR

Vibrations