Geometry & MOs

Info

ID:	429183
PubChem CID:	135169030
Reduced:	O3F4N5C26H29 (1)
Stoich.:	A3B4C5D26E29 (1)
Weight, g/mol:	362.164185
ΔH_f, kcal/mol:	-286.24
Dipole, Da:	6.45
IP(EA), eV:	-9.15(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[5-fluoro-4-(hydroxymethyl)pyridin-2-yl]-N-[(4-methoxyphenyl)methyl]carbamate

Drug info:

PubChemData

Smile

CN(C1=CC(=CC=C1)F)C(=O)[C@@H]2C(C(=O)N2C(=O)N[C@@H](C3CCCCC3)C(F)(F)F)CC4=CC(=NC=C4)N

DOS

IR

Vibrations