Geometry & MOs

Info

ID:	242854
PubChem CID:	99213392
Reduced:	F2N3O3C25H29 (1)
Stoich.:	A2B3C3D25E29 (1)
Weight, g/mol:	458.187543
ΔH_f, kcal/mol:	-195.79
Dipole, Da:	4.14
IP(EA), eV:	-9.16(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2S)-2-[[(Z)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enoyl]amino]-3-phenylpropanoate

Drug info:

PubChemData

Smile

C1C[C@H](CN(C1)C(=O)NC2=CC=CC=C2F)C(=O)NCC3(CCOCC3)C4=CC=C(C=C4)F

DOS

IR

Vibrations