Geometry & MOs

Info

ID:	229217
PubChem CID:	87567204
Reduced:	O2F3N5C20H24 (1)
Stoich.:	A2B3C5D20E24 (1)
Weight, g/mol:	487.304621
ΔH_f, kcal/mol:	-157.07
Dipole, Da:	2.77
IP(EA), eV:	-8.73(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (1R,2S,5R)-5-(tert-butylamino)-2-[3-[(3-tert-butyl-4-hydroxybenzoyl)amino]-2-oxopyrrolidin-1-yl]cyclohexane-1-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1C)C2=NC3=C(C=C2)C(N(C(N3OC(=O)C(F)(F)F)N)C)N)C)C

DOS

IR

Vibrations