Geometry & MOs

Info

ID:	441475
PubChem CID:	135235176
Reduced:	BrNOC14H22 (1)
Stoich.:	ABCD14E22 (1)
Weight, g/mol:	411.172896
ΔH_f, kcal/mol:	-59.81
Dipole, Da:	2.73
IP(EA), eV:	-8.07(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[bis(pyridin-2-ylmethyl)amino]-N-(3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptan-6-yl)acetamide

Drug info:

PubChemData

Smile

CC(C)(C)NC1=C(C=C(C=C1)C(C)(C)OC)Br

DOS

IR

Vibrations