Geometry & MOs

Info

ID:	129167
PubChem CID:	51071822
Reduced:	N3O4F6C28H29 (1)
Stoich.:	A3B4C6D28E29 (1)
Weight, g/mol:	427.247107
ΔH_f, kcal/mol:	-461.45
Dipole, Da:	4.15
IP(EA), eV:	-9.28(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-(cyclobutanecarbonyl)-N-[4-[(4-methoxybenzoyl)amino]cyclohexyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(=O)NC2CCC(CC2)NC(=O)[C@@H]3CCCN3C(=O)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations