Geometry & MOs

Info

ID:	163477
PubChem CID:	58001248
Reduced:	F2N5O5C34H41 (1)
Stoich.:	A2B5C5D34E41 (1)
Weight, g/mol:	423.252192
ΔH_f, kcal/mol:	-281.21
Dipole, Da:	8.22
IP(EA), eV:	-8.83(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[[4-[[(5-phenylpyridine-3-carbonyl)amino]methyl]cyclohexyl]methyl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1=CC=CC=C1NC(=O)C2=CC=C(C=C2)CN(CCCN3CCC(CC3)O)C(=O)NC4=CC(=C(C=C4)F)F

DOS

IR

Vibrations