Geometry & MOs

Info

ID:	79905
PubChem CID:	49831210
Reduced:	F2O2N5H25C30 (1)
Stoich.:	A2B2C5D25E30 (1)
Weight, g/mol:	382.225643
ΔH_f, kcal/mol:	-12.08
Dipole, Da:	14.16
IP(EA), eV:	-7.6(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[ethyl(2-methylpropanoyl)amino]-N-[(2S)-1-hydroxypropan-2-yl]-5-(4-methylphenyl)benzamide

Drug info:

PubChemData

Smile

CC1=C(C2=C(C=C(C=C2F)F)N=C1C3=CC=CC=N3)NC4=CC(=CNC4=C5C=CC(=O)C=C5)N6CCOCC6

DOS

IR

Vibrations