Geometry & MOs

Info

ID:	243439
PubChem CID:	99222794
Reduced:	F3O3N4C23H23 (1)
Stoich.:	A3B3C4D23E23 (1)
Weight, g/mol:	369.205242
ΔH_f, kcal/mol:	-199.01
Dipole, Da:	4.38
IP(EA), eV:	-10.01(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(E)-3-[[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]amino]-3-oxoprop-1-enyl]-N-cyclopropylbenzamide

Drug info:

PubChemData

Smile

CC1=NOC2=C1C(=CC(=N2)C3=CC=CC=C3C(F)(F)F)C(=O)N[C@H](C)C(=O)NC4CCCC4

DOS

IR

Vibrations