Geometry & MOs

Info

ID:	244174
PubChem CID:	99319183
Reduced:	SF2N3O4C22H25 (1)
Stoich.:	AB2C3D4E22F25 (1)
Weight, g/mol:	421.161326
ΔH_f, kcal/mol:	-202.82
Dipole, Da:	4.76
IP(EA), eV:	-9.55(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-difluoro-N-[2-[[(2S)-2-[(2-fluorobenzoyl)amino]-3-methylbutanoyl]amino]ethyl]benzamide

Drug info:

PubChemData

Smile

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)NCCNC(=O)C3=C(C=C(C=C3)F)F

DOS

IR

Vibrations