Geometry & MOs

Info

ID:	427963
PubChem CID:	135165604
Reduced:	ClFSO4N5C30H33 (1)
Stoich.:	ABCD4E5F30G33 (1)
Weight, g/mol:	422.08412
ΔH_f, kcal/mol:	-164.83
Dipole, Da:	6.28
IP(EA), eV:	-8.52(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-(4-bromoquinolin-2-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1=CC2=CC=CC=C2C(=N1)C3=C(C4=NSC(=C4C=C3Cl)N5CCN(CC5)C(=O)OC(C)(C)C)F

DOS

IR

Vibrations