Geometry & MOs

Info

ID:	244205
PubChem CID:	99319358
Reduced:	F2N3O4C25H29 (1)
Stoich.:	A2B3C4D25E29 (1)
Weight, g/mol:	437.131776
ΔH_f, kcal/mol:	-228.35
Dipole, Da:	5.81
IP(EA), eV:	-9.23(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1CCC[C@H](N1C(=O)COC2=CC=C(C=C2)C(=O)NCCNC(=O)C3=C(C=C(C=C3)F)F)C

DOS

IR

Vibrations