Geometry & MOs

Info

ID:	244206
PubChem CID:	99319359
Reduced:	ClF2N3O3C21H22 (1)
Stoich.:	AB2C3D3E21F22 (1)
Weight, g/mol:	437.131776
ΔH_f, kcal/mol:	-196.83
Dipole, Da:	3.87
IP(EA), eV:	-9.94(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[(2R)-2-[(4-chlorobenzoyl)amino]-3-methylbutanoyl]amino]ethyl]-2,4-difluorobenzamide

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)NCCNC(=O)C1=C(C=C(C=C1)F)F)NC(=O)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations