Geometry & MOs

Info

ID:	314906
PubChem CID:	126623952
Reduced:	BrPN7O7C32H35 (1)
Stoich.:	ABC7D7E32F35 (1)
Weight, g/mol:	402.09429
ΔH_f, kcal/mol:	-231.15
Dipole, Da:	5.33
IP(EA), eV:	-9.16(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-bromopyridin-2-yl)-1,3-dihydroinden-2-yl]methyl-tert-butylcarbamic acid

Drug info:

PubChemData

Smile

CCOP(=O)(OCC)OC[C@@]12C[C@H](N([C@@H]1C2)C(=O)CN3C4=C(C=C(C=C4)C5=CN=C(N=C5)C)C(=N3)C(=O)C)C(=O)NC6=NC(=CC=C6)Br

DOS

IR

Vibrations