Geometry & MOs

Info

ID:	429235
PubChem CID:	135169139
Reduced:	F2O3N6C26H26 (1)
Stoich.:	A2B3C6D26E26 (1)
Weight, g/mol:	420.10486
ΔH_f, kcal/mol:	-126.18
Dipole, Da:	6.45
IP(EA), eV:	-9.02(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[4-(bromomethyl)-6-methylpyridin-2-yl]-N-[(4-methoxyphenyl)methyl]carbamate

Drug info:

PubChemData

Smile

CC[C@H](C1=CC(=C(C=C1)F)F)NC(=O)N2[C@@H]([C@H](C2=O)CC3=CC(=NC=C3)N)C(=O)N(C)C4=CC=NC=C4

DOS

IR

Vibrations