Geometry & MOs

Info

ID:	321340
PubChem CID:	126665834
Reduced:	BrO2F3N3H11C15 (1)
Stoich.:	AB2C3D3E11F15 (1)
Weight, g/mol:	591.220572
ΔH_f, kcal/mol:	-138.87
Dipole, Da:	3.46
IP(EA), eV:	-9.83(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[[3-[5-[[3-[azido(phenyl)methyl]phenyl]carbamoyl]-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]carbamate

Drug info:

PubChemData

Smile

CC1=NOC2=C1C(=O)N(N=C2Br)C(C)C3=CC=C(C=C3)C(F)(F)F

DOS

IR

Vibrations